N-(prop-2-en-1-yl)cyclopentanamine hydrochloride

• ChemBase ID: 261151
• Molecular Formular: C8H16ClN
• Molecular Mass: 161.67234
• Monoisotopic Mass: 161.0971272
• SMILES: C(=C)CNC1CCCC1.Cl
• Canonical SMILES: C=CCNC1CCCC1.Cl
• InChI: InChI=1S/C8H15N.ClH/c1-2-7-9-8-5-3-4-6-8;/h2,8-9H,1,3-7H2;1H
• InChIKey: JGOAOCCDNKWGCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(prop-2-en-1-yl)cyclopentanamine hydrochloride
• IUPAC Traditional name: N-(prop-2-en-1-yl)cyclopentanamine hydrochloride
• Synonyms: N-(prop-2-en-1-yl)cyclopentanamine hydrochloride

Database IDs

• MDL Number: MFCD12912802
• PubChem SID: 164317061
• PubChem CID: 45791718

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3283998
• LogD (pH = 7.4): -0.6640752
• Log P: 1.8930732
• Molar Refractivity: 40.2693 cm^3
• Polarizability: 16.06087 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 1.728

Product Information

• Purity: 95%