N-butylcyclopentanamine hydrochloride

• ChemBase ID: 21496
• Molecular Formular: C9H20ClN
• Molecular Mass: 177.7148
• Monoisotopic Mass: 177.12842733
• SMILES: N(C1CCCC1)CCCC.Cl
• Canonical SMILES: CCCCNC1CCCC1.Cl
• InChI: InChI=1S/C9H19N.ClH/c1-2-3-8-10-9-6-4-5-7-9;/h9-10H,2-8H2,1H3;1H
• InChIKey: PQIAXFNFHZJYDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butylcyclopentanamine hydrochloride
• IUPAC Traditional name: N-butylcyclopentanamine hydrochloride
• Synonyms: N-Butyl-N-cyclopentylamine hydrochloride

Database IDs

• MDL Number: MFCD08559402
• PubChem SID: 160984803
• PubChem CID: 16641292

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
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false