N-Cyclopropyl-5-methyl-2-(2-propanyl)cyclohexanecarboxamide

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  • Identifiers

    CAS number
    73435-61-7

    Molecular formula
    C14H25NO

    SMILES
    CC1CCC(C(C1)C(=O)NC2CC2)C(C)C

  • Odor profile

    Fragrance
    Cooling 58.92%
    Mint 46.67%
    Odorless 40.87%
    Savory 30.66%
    Animal 23.17%
    Herbal 21.41%
    Fishy 20.38%
    Meaty 19.5%
    Spicy 19.16%
    Roasted 18.25%

     

    Flavor
    Herbal 33.13%
    Bitter 28.63%
    Herb 24.24%
    Odorless 23.43%
    Cedarleaf 22.27%
    Fruity 21.84%
    Green tea 20.66%
    Terpentine 20.4%
    Sandalwood 20.14%
    Mentholic 19.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.99 (neutral)

    Molecular weight
    223.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point

    • 128.51 ˚C est.

  • Synonyms

    • SCHEMBL2318218
    • DTXSID801019759
    • N-Cyclopropyl-5-methyl-2-(2-propanyl)cyclohexanecarboxamide
    • 73435-61-7
    • NS00125549

  • Applications

    N-Cyclopropyl-5-methyl-2-(2-propanyl)cyclohexanecarboxamide (CAS 73435-61-7) is primarily used as a pharmaceutical synthesis intermediate and a practical building block in medicinal chemistry programs, where its cyclohexane carboxamide core and N-cyclopropyl substituent support structure-activity relationship (SAR) studies and the preparation of related amide derivatives; it is also evaluated in agrochemical research as a scaffold for enzyme inhibitors and lead compounds; in industrial manufacturing it serves as an intermediate for the synthesis of related amide compounds and for scale-up of more complex molecules; and in research settings it is used as a rigid, hydrophobic building block to support exploration of asymmetric synthesis and the development of new amide-based materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 336.05
    methanol 332.47
    isopropanol 272.23
    water 0.34
    ethyl acetate 144.69
    n-propanol 269.02
    acetone 205.49
    n-butanol 238.47
    acetonitrile 86.49
    DMF 234.36
    toluene 81.76
    isobutanol 192.43
    1,4-dioxane 302.31
    methyl acetate 124.09
    THF 462.04
    2-butanone 173.46
    n-pentanol 142.93
    sec-butanol 163.31
    n-hexane 10.35
    ethylene glycol 43.63
    NMP 182.28
    cyclohexane 25.41
    DMSO 148.37
    n-butyl acetate 164.61
    n-octanol 58.35
    chloroform 468.04
    n-propyl acetate 104.89
    acetic acid 211.22
    dichloromethane 285.19
    cyclohexanone 278.27
    propylene glycol 84.98
    isopropyl acetate 140.23
    DMAc 202.53
    2-ethoxyethanol 159.56
    isopentanol 190.98
    n-heptane 6.34
    ethyl formate 112.08
    1,2-dichloroethane 202.78
    n-hexanol 175.01
    2-methoxyethanol 257.58
    isobutyl acetate 97.38
    tetrachloromethane 52.01
    n-pentyl acetate 97.46
    transcutol 374.57
    n-heptanol 77.6
    ethylbenzene 46.61
    MIBK 115.99
    2-propoxyethanol 255.65
    tert-butanol 200.52
    MTBE 147.59
    2-butoxyethanol 149.2
    propionic acid 139.09
    o-xylene 52.23
    formic acid 64.66
    diethyl ether 138.41
    m-xylene 58.07
    p-xylene 63.53
    chlorobenzene 143.67
    dimethyl carbonate 41.42
    n-octane 4.06
    formamide 66.7
    cyclopentanone 287.02
    2-pentanone 154.45
    anisole 83.6
    cyclopentyl methyl ether 139.22
    gamma-butyrolactone 264.33
    1-methoxy-2-propanol 208.02
    pyridine 272.46
    3-pentanone 95.21
    furfural 242.59
    n-dodecane 4.03
    diethylene glycol 172.17
    diisopropyl ether 43.43
    tert-amyl alcohol 130.92
    acetylacetone 150.78
    n-hexadecane 4.63
    acetophenone 87.55
    methyl propionate 92.49
    isopentyl acetate 163.95
    trichloroethylene 345.29
    n-nonanol 55.6
    cyclohexanol 165.62
    benzyl alcohol 105.19
    2-ethylhexanol 77.46
    isooctanol 62.67
    dipropyl ether 64.12
    1,2-dichlorobenzene 108.79
    ethyl lactate 63.43
    propylene carbonate 165.92
    n-methylformamide 119.89
    2-pentanol 131.04
    n-pentane 12.06
    1-propoxy-2-propanol 172.29
    1-methoxy-2-propyl acetate 151.37
    2-(2-methoxypropoxy) propanol 105.76
    mesitylene 37.51
    ε-caprolactone 230.34
    p-cymene 33.8
    epichlorohydrin 292.93
    1,1,1-trichloroethane 173.53
    2-aminoethanol 114.77
    morpholine-4-carbaldehyde 214.58
    sulfolane 217.41
    2,2,4-trimethylpentane 9.53
    2-methyltetrahydrofuran 251.24
    n-hexyl acetate 111.06
    isooctane 7.76
    2-(2-butoxyethoxy)ethanol 152.96
    sec-butyl acetate 86.97
    tert-butyl acetate 116.42
    decalin 12.48
    glycerin 100.44
    diglyme 245.35
    acrylic acid 116.0
    isopropyl myristate 44.18
    n-butyric acid 249.86
    acetyl acetate 105.99
    di(2-ethylhexyl) phthalate 55.32
    ethyl propionate 79.5
    nitromethane 173.18
    1,2-diethoxyethane 138.72
    benzonitrile 127.72
    trioctyl phosphate 38.72
    1-bromopropane 129.93
    gamma-valerolactone 374.81
    n-decanol 40.56
    triethyl phosphate 46.55
    4-methyl-2-pentanol 86.12
    propionitrile 114.22
    vinylene carbonate 149.13
    1,1,2-trichlorotrifluoroethane 206.92
    DMS 84.37
    cumene 35.46
    2-octanol 48.14
    2-hexanone 114.5
    octyl acetate 56.21
    limonene 44.43
    1,2-dimethoxyethane 225.44
    ethyl orthosilicate 47.77
    tributyl phosphate 44.53
    diacetone alcohol 129.35
    N,N-dimethylaniline 56.54
    acrylonitrile 119.13
    aniline 122.87
    1,3-propanediol 206.11
    bromobenzene 130.53
    dibromomethane 205.67
    1,1,2,2-tetrachloroethane 290.84
    2-methyl-cyclohexyl acetate 82.24
    tetrabutyl urea 52.71
    diisobutyl methanol 50.12
    2-phenylethanol 116.7
    styrene 56.7
    dioctyl adipate 57.87
    dimethyl sulfate 53.8
    ethyl butyrate 90.91
    methyl lactate 72.21
    butyl lactate 92.5
    diethyl carbonate 60.63
    propanediol butyl ether 123.26
    triethyl orthoformate 71.08
    p-tert-butyltoluene 32.24
    methyl 4-tert-butylbenzoate 81.87
    morpholine 353.97
    tert-butylamine 118.72
    n-dodecanol 29.94
    dimethoxymethane 136.72
    ethylene carbonate 135.03
    cyrene 96.05
    2-ethoxyethyl acetate 130.17
    2-ethylhexyl acetate 119.87
    1,2,4-trichlorobenzene 124.27
    4-methylpyridine 215.66
    dibutyl ether 56.69
    2,6-dimethyl-4-heptanol 50.12
    DEF 129.24
    dimethyl isosorbide 151.48
    tetrachloroethylene 199.43
    eugenol 90.54
    triacetin 96.51
    span 80 100.05
    1,4-butanediol 76.53
    1,1-dichloroethane 217.53
    2-methyl-1-pentanol 120.11
    methyl formate 82.48
    2-methyl-1-butanol 155.97
    n-decane 6.7
    butyronitrile 151.27
    3,7-dimethyl-1-octanol 62.68
    1-chlorooctane 32.76
    1-chlorotetradecane 13.9
    n-nonane 5.63
    undecane 4.98
    tert-butylcyclohexane 11.29
    cyclooctane 7.0
    cyclopentanol 171.22
    tetrahydropyran 319.14
    tert-amyl methyl ether 88.57
    2,5,8-trioxanonane 150.54
    1-hexene 48.78
    2-isopropoxyethanol 125.1
    2,2,2-trifluoroethanol 66.9
    methyl butyrate 117.15

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction