1-(2-cyclohexylphenyl)cyclohexan-1-amine

C18H27N — CID 117397261

IUPAC1-(2-cyclohexylphenyl)cyclohexan-1-amine
SMILESNC1(c2ccccc2C2CCCCC2)CCCCC1
InChIInChI=1S/C18H27N/c19-18(13-7-2-8-14-18)17-12-6-5-11-16(17)15-9-3-1-4-10-15/h5-6,11-12,15H,1-4,7-10,13-14,19H2
InChIKeyMZGSHOOBQHXABU-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.85
Rot. Bonds2

About 1-(2-cyclohexylphenyl)cyclohexan-1-amine

1-(2-cyclohexylphenyl)cyclohexan-1-amine (PubChem CID 117397261) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2-cyclohexylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-cyclohexylphenyl)cyclohexan-1-amine
PubChem CID117397261
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(2-cyclohexylphenyl)cyclohexan-1-amine
SMILESNC1(c2ccccc2C2CCCCC2)CCCCC1
InChIInChI=1S/C18H27N/c19-18(13-7-2-8-14-18)17-12-6-5-11-16(17)15-9-3-1-4-10-15/h5-6,11-12,15H,1-4,7-10,13-14,19H2
InChIKeyMZGSHOOBQHXABU-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
CID 117460026
1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
CID 117434122
1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
[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-(thietan-3-yl)phenyl]cyclopropan-1-amine
CID 84778775
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
CID 117399697
1-(2-cyclohexylphenyl)cyclopropane-1-carboxylic acid
CID 117362895
1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile
CID 117047551
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-cyclopentyl-2-(1-isocyanatocyclopentyl)benzene
CID 117391765

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-cyclohexylphenyl)cyclohexan-1-amine (CID 117397261) is 1-(2-cyclohexylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-cyclohexylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-cyclohexylphenyl)cyclohexan-1-amine is NC1(c2ccccc2C2CCCCC2)CCCCC1.
What is the InChIKey of 1-(2-cyclohexylphenyl)cyclohexan-1-amine?
The InChIKey is MZGSHOOBQHXABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c19-18(13-7-2-8-14-18)17-12-6-5-11-16(17)15-9-3-1-4-10-15/h5-6,11-12,15H,1-4,7-10,13-14,19H2.
What are the key properties of 1-(2-cyclohexylphenyl)cyclohexan-1-amine?
1-(2-cyclohexylphenyl)cyclohexan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117397261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).