N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine

C19H29N — CID 64908026

IUPACN-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine
SMILESCC1CCC(NC2CCC(c3ccccc3)CC2)C1C
InChIInChI=1S/C19H29N/c1-14-8-13-19(15(14)2)20-18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-7,14-15,17-20H,8-13H2,1-2H3
InChIKeyUEIVCFMFGMHYRF-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.74
Rot. Bonds3

About N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine

N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine (PubChem CID 64908026) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine
PubChem CID64908026
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine
SMILESCC1CCC(NC2CCC(c3ccccc3)CC2)C1C
InChIInChI=1S/C19H29N/c1-14-8-13-19(15(14)2)20-18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-7,14-15,17-20H,8-13H2,1-2H3
InChIKeyUEIVCFMFGMHYRF-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine (CID 64908026) is N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine is CC1CCC(NC2CCC(c3ccccc3)CC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine?
The InChIKey is UEIVCFMFGMHYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14-8-13-19(15(14)2)20-18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-7,14-15,17-20H,8-13H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine?
N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 64908026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).