N-(propan-2-yl)cyclopentanamine hydrochloride

• ChemBase ID: 254696
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: N(C1CCCC1)C(C)C.Cl
• Canonical SMILES: CC(NC1CCCC1)C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-7(2)9-8-5-3-4-6-8;/h7-9H,3-6H2,1-2H3;1H
• InChIKey: LZAPWTFBZLJWDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)cyclopentanamine hydrochloride
• IUPAC Traditional name: N-isopropylcyclopentanamine hydrochloride
• Synonyms: N-cyclopentyl-N-isopropylamine hydrochloride

Database IDs

• CAS Number: 52703-17-0
• MDL Number: MFCD08689638
• PubChem SID: 164310606
• PubChem CID: 17750361

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.0896455
• Log P: 1.9352064
• Molar Refractivity: 40.274 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.303281

PROPERTIES

Physical Property

• Melting Point: 197 - 199°C
• Hydrophobicity(logP): 1.792

Product Information

• Purity: 95%