N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine

C19H29N — CID 107412166

IUPACN-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
SMILESCC1CCC(CNC2CCCCC2c2ccccc2)C1
InChIInChI=1S/C19H29N/c1-15-11-12-16(13-15)14-20-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-4,7-8,15-16,18-20H,5-6,9-14H2,1H3
InChIKeyHLHXVBYXVHFLAF-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.74
Rot. Bonds4

About N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine

N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine (PubChem CID 107412166) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
PubChem CID107412166
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
SMILESCC1CCC(CNC2CCCCC2c2ccccc2)C1
InChIInChI=1S/C19H29N/c1-15-11-12-16(13-15)14-20-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-4,7-8,15-16,18-20H,5-6,9-14H2,1H3
InChIKeyHLHXVBYXVHFLAF-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
2-[(3-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107412781
N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 63821128
N'-(2-phenylcyclohexyl)propane-1,3-diamine
CID 60895197
2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
CID 43767796
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol
CID 107151533
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-[(3-methylcyclopentyl)methyl]cyclohexanamine
CID 107412033
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
CID 43765298

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine (CID 107412166) is N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine is CC1CCC(CNC2CCCCC2c2ccccc2)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine?
The InChIKey is HLHXVBYXVHFLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-15-11-12-16(13-15)14-20-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-4,7-8,15-16,18-20H,5-6,9-14H2,1H3.
What are the key properties of N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine?
N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 107412166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).