3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine

C19H31N — CID 107876207

IUPAC3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
SMILESCCC1CCCC(NCC(c2ccccc2)C(C)C)C1
InChIInChI=1S/C19H31N/c1-4-16-9-8-12-18(13-16)20-14-19(15(2)3)17-10-6-5-7-11-17/h5-7,10-11,15-16,18-20H,4,8-9,12-14H2,1-3H3
InChIKeyXVAHRZPXKCCRDZ-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.98
Rot. Bonds6

About 3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine

3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine (PubChem CID 107876207) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
PubChem CID107876207
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
SMILESCCC1CCCC(NCC(c2ccccc2)C(C)C)C1
InChIInChI=1S/C19H31N/c1-4-16-9-8-12-18(13-16)20-14-19(15(2)3)17-10-6-5-7-11-17/h5-7,10-11,15-16,18-20H,4,8-9,12-14H2,1-3H3
InChIKeyXVAHRZPXKCCRDZ-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
3,5-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876205
N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
CID 114011794
3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876320
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
[1-(3-ethylcyclohexyl)-2-phenylbutyl]hydrazine
CID 105313742
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64743967
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine
CID 107876110
N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
CID 106008203

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine (CID 107876207) is 3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine is CCC1CCCC(NCC(c2ccccc2)C(C)C)C1.
What is the InChIKey of 3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
The InChIKey is XVAHRZPXKCCRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-16-9-8-12-18(13-16)20-14-19(15(2)3)17-10-6-5-7-11-17/h5-7,10-11,15-16,18-20H,4,8-9,12-14H2,1-3H3.
What are the key properties of 3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 107876207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).