4-benzyl-N,2,2-trimethylcyclopentan-1-amine

C15H23N — CID 174528060

IUPAC4-benzyl-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1CC(Cc2ccccc2)CC1(C)C
InChIInChI=1S/C15H23N/c1-15(2)11-13(10-14(15)16-3)9-12-7-5-4-6-8-12/h4-8,13-14,16H,9-11H2,1-3H3
InChIKeyZVFPXXPDQCWTNM-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.25
Rot. Bonds3

About 4-benzyl-N,2,2-trimethylcyclopentan-1-amine

4-benzyl-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 174528060) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-benzyl-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name4-benzyl-N,2,2-trimethylcyclopentan-1-amine
PubChem CID174528060
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-benzyl-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1CC(Cc2ccccc2)CC1(C)C
InChIInChI=1S/C15H23N/c1-15(2)11-13(10-14(15)16-3)9-12-7-5-4-6-8-12/h4-8,13-14,16H,9-11H2,1-3H3
InChIKeyZVFPXXPDQCWTNM-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-benzyl-N,2,2-trimethylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 4-benzyl-N,2,2-trimethylcyclopentan-1-amine (CID 174528060) is 4-benzyl-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 4-benzyl-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 4-benzyl-N,2,2-trimethylcyclopentan-1-amine is CNC1CC(Cc2ccccc2)CC1(C)C.
What is the InChIKey of 4-benzyl-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is ZVFPXXPDQCWTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2)11-13(10-14(15)16-3)9-12-7-5-4-6-8-12/h4-8,13-14,16H,9-11H2,1-3H3.
What are the key properties of 4-benzyl-N,2,2-trimethylcyclopentan-1-amine?
4-benzyl-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 174528060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).