N-butylcyclopentanamine

• ChemBase ID: 307891
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: N(C1CCCC1)CCCC
• Canonical SMILES: CCCCNC1CCCC1
• InChI: InChI=1S/C9H19N/c1-2-3-8-10-9-6-4-5-7-9/h9-10H,2-8H2,1H3
• InChIKey: IDSLZDNFOXAOHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butylcyclopentanamine
• IUPAC Traditional name: N-butylcyclopentanamine
• Synonyms: N-butylcyclopentanamine

Database IDs

• CAS Number: 40649-24-9
• MDL Number: MFCD08691713

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.75306857
• LogD (pH = 7.4): -0.5541173
• Log P: 2.4857223
• Molar Refractivity: 44.9802 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2