N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine

C27H37N — CID 91327880

IUPACN-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine
SMILESCCC1(c2ccccc2)CC(Cc2ccccc2)CC1NC1CCC(C)CC1
InChIInChI=1S/C27H37N/c1-3-27(24-12-8-5-9-13-24)20-23(18-22-10-6-4-7-11-22)19-26(27)28-25-16-14-21(2)15-17-25/h4-13,21,23,25-26,28H,3,14-20H2,1-2H3
InChIKeyWSQRAWZOZDYRHV-UHFFFAOYSA-N
MW375.60 g/mol
LogP6.52
Rot. Bonds6

About N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine

N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine (PubChem CID 91327880) has the molecular formula C27H37N and a molecular weight of 375.60 g/mol. Its IUPAC name is N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine
PubChem CID91327880
Molecular FormulaC27H37N
Molecular Weight375.60 g/mol
Exact Mass375.29
IUPAC NameN-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine
SMILESCCC1(c2ccccc2)CC(Cc2ccccc2)CC1NC1CCC(C)CC1
InChIInChI=1S/C27H37N/c1-3-27(24-12-8-5-9-13-24)20-23(18-22-10-6-4-7-11-22)19-26(27)28-25-16-14-21(2)15-17-25/h4-13,21,23,25-26,28H,3,14-20H2,1-2H3
InChIKeyWSQRAWZOZDYRHV-UHFFFAOYSA-N
XLogP6.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine?
The IUPAC name of N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine (CID 91327880) is N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine is CCC1(c2ccccc2)CC(Cc2ccccc2)CC1NC1CCC(C)CC1.
What is the InChIKey of N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine?
The InChIKey is WSQRAWZOZDYRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N/c1-3-27(24-12-8-5-9-13-24)20-23(18-22-10-6-4-7-11-22)19-26(27)28-25-16-14-21(2)15-17-25/h4-13,21,23,25-26,28H,3,14-20H2,1-2H3.
What are the key properties of N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine?
N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine has a molecular weight of 375.60 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-2-ethyl-2-phenylcyclopentyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 91327880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).