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

C19H29N — CID 63821128

IUPACN-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
SMILESCC1(CNC2CCCCC2c2ccccc2)CCCC1
InChIInChI=1S/C19H29N/c1-19(13-7-8-14-19)15-20-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-4,9-10,17-18,20H,5-8,11-15H2,1H3
InChIKeyUPUMMCGTBBXMBN-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.88
Rot. Bonds4

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

N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine (PubChem CID 63821128) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
PubChem CID63821128
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
SMILESCC1(CNC2CCCCC2c2ccccc2)CCCC1
InChIInChI=1S/C19H29N/c1-19(13-7-8-14-19)15-20-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-4,9-10,17-18,20H,5-8,11-15H2,1H3
InChIKeyUPUMMCGTBBXMBN-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

1-[[(2-phenylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65107027
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133645
N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine
CID 104705865
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
3-[[(2-phenylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103904822
trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol
CID 102731253
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide
CID 43771846
2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 55261404
2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
CID 43784317

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine (CID 63821128) is N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine is CC1(CNC2CCCCC2c2ccccc2)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine?
The InChIKey is UPUMMCGTBBXMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-19(13-7-8-14-19)15-20-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-4,9-10,17-18,20H,5-8,11-15H2,1H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine?
N-[(1-methylcyclopentyl)methyl]-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-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 63821128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).