1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine

C20H31N — CID 117460026

IUPAC1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
SMILESCC1(C)CCC(c2ccccc2C2(N)CCCCC2)CC1
InChIInChI=1S/C20H31N/c1-19(2)14-10-16(11-15-19)17-8-4-5-9-18(17)20(21)12-6-3-7-13-20/h4-5,8-9,16H,3,6-7,10-15,21H2,1-2H3
InChIKeyKPGMROFAYDQBCM-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.49
Rot. Bonds2

About 1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine

1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine (PubChem CID 117460026) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
PubChem CID117460026
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
SMILESCC1(C)CCC(c2ccccc2C2(N)CCCCC2)CC1
InChIInChI=1S/C20H31N/c1-19(2)14-10-16(11-15-19)17-8-4-5-9-18(17)20(21)12-6-3-7-13-20/h4-5,8-9,16H,3,6-7,10-15,21H2,1-2H3
InChIKeyKPGMROFAYDQBCM-UHFFFAOYSA-N
XLogP5.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclohexylphenyl)cyclohexan-1-amine
CID 117397261
1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
CID 117434122
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclopentane-1-carboxylic acid
CID 117484269
1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine
CID 84778775
[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
CID 117360932
1-[1-(2-cyclohexylphenyl)cyclopropyl]ethanamine
CID 117360924
1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine
CID 117397248
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
CID 54289417
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine (CID 117460026) is 1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine is CC1(C)CCC(c2ccccc2C2(N)CCCCC2)CC1.
What is the InChIKey of 1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine?
The InChIKey is KPGMROFAYDQBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-19(2)14-10-16(11-15-19)17-8-4-5-9-18(17)20(21)12-6-3-7-13-20/h4-5,8-9,16H,3,6-7,10-15,21H2,1-2H3.
What are the key properties of 1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine?
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117460026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).