2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine

C15H25N — CID 142067911

IUPAC2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine
SMILESCC1=CC=CC(CCCC2CCCC2N)C1
InChIInChI=1S/C15H25N/c1-12-5-2-6-13(11-12)7-3-8-14-9-4-10-15(14)16/h2,5-6,13-15H,3-4,7-11,16H2,1H3
InChIKeyHUWLNAXGBKFKHW-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.81
Rot. Bonds4

About 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine

2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine (PubChem CID 142067911) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine
PubChem CID142067911
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine
SMILESCC1=CC=CC(CCCC2CCCC2N)C1
InChIInChI=1S/C15H25N/c1-12-5-2-6-13(11-12)7-3-8-14-9-4-10-15(14)16/h2,5-6,13-15H,3-4,7-11,16H2,1H3
InChIKeyHUWLNAXGBKFKHW-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-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 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine?
The IUPAC name of 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine (CID 142067911) is 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine?
The canonical SMILES for 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine is CC1=CC=CC(CCCC2CCCC2N)C1.
What is the InChIKey of 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine?
The InChIKey is HUWLNAXGBKFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12-5-2-6-13(11-12)7-3-8-14-9-4-10-15(14)16/h2,5-6,13-15H,3-4,7-11,16H2,1H3.
What are the key properties of 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine?
2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methylcyclohexa-2,4-dien-1-yl)propyl]cyclopentan-1-amine is sourced from PubChem (CID 142067911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).