2-(3-methylbutyl)cyclopentan-1-amine

• ChemBase ID: 269474
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: C1(CCC(C)C)C(N)CCC1
• Canonical SMILES: CC(CCC1CCCC1N)C
• InChI: InChI=1S/C10H21N/c1-8(2)6-7-9-4-3-5-10(9)11/h8-10H,3-7,11H2,1-2H3
• InChIKey: RXSOQOARVNFVCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylbutyl)cyclopentan-1-amine
• IUPAC Traditional name: 2-(3-methylbutyl)cyclopentan-1-amine
• Synonyms: 2-(3-methylbutyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD14653494
• PubChem SID: 164325384
• PubChem CID: 50986564

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.31344125
• LogD (pH = 7.4): -0.04631582
• Log P: 2.714941
• Molar Refractivity: 49.1552 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.313

Product Information

• Purity: 95%