N-(pentan-3-yl)cyclopropanamine hydrochloride

• ChemBase ID: 260863
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: C1(CC1)NC(CC)CC.Cl
• Canonical SMILES: CCC(NC1CC1)CC.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-3-7(4-2)9-8-5-6-8;/h7-9H,3-6H2,1-2H3;1H
• InChIKey: KQDZPKJFASDRFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pentan-3-yl)cyclopropanamine hydrochloride
• IUPAC Traditional name: N-(pentan-3-yl)cyclopropanamine hydrochloride
• Synonyms: N-(pentan-3-yl)cyclopropanamine hydrochloride

Database IDs

• MDL Number: MFCD12197251
• PubChem SID: 164316773
• PubChem CID: 45791642

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1437894
• LogD (pH = 7.4): -0.78697926
• Log P: 2.0911138
• Molar Refractivity: 40.12 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C
• Hydrophobicity(logP): 1.962

Product Information

• Purity: 95%