N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine

C19H29N — CID 43775635

IUPACN-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
SMILESc1ccc(C2CCCCC2NCC2CCCCC2)cc1
InChIInChI=1S/C19H29N/c1-3-9-16(10-4-1)15-20-19-14-8-7-13-18(19)17-11-5-2-6-12-17/h2,5-6,11-12,16,18-20H,1,3-4,7-10,13-15H2
InChIKeyKWAXLRLXSMJWTK-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.88
Rot. Bonds4

About N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine

N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine (PubChem CID 43775635) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
PubChem CID43775635
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
SMILESc1ccc(C2CCCCC2NCC2CCCCC2)cc1
InChIInChI=1S/C19H29N/c1-3-9-16(10-4-1)15-20-19-14-8-7-13-18(19)17-11-5-2-6-12-17/h2,5-6,11-12,16,18-20H,1,3-4,7-10,13-15H2
InChIKeyKWAXLRLXSMJWTK-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 107412166
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
N'-(2-phenylcyclohexyl)propane-1,3-diamine
CID 60895197
1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65107027
N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine
CID 43632316
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
CID 43765298
N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride
CID 19935156
2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 54897003
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311
N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 63821128

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine (CID 43775635) is N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine is c1ccc(C2CCCCC2NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine?
The InChIKey is KWAXLRLXSMJWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-9-16(10-4-1)15-20-19-14-8-7-13-18(19)17-11-5-2-6-12-17/h2,5-6,11-12,16,18-20H,1,3-4,7-10,13-15H2.
What are the key properties of N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine?
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 43775635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).