N-(3-methylbutyl)cyclopropanamine hydrochloride

• ChemBase ID: 255127
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: C1(CC1)NCCC(C)C.Cl
• Canonical SMILES: CC(CCNC1CC1)C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-7(2)5-6-9-8-3-4-8;/h7-9H,3-6H2,1-2H3;1H
• InChIKey: WMDAHDJMIPZODA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971442
• PubChem SID: 164311037
• PubChem CID: 24686262

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3461937
• LogD (pH = 7.4): -0.84458977
• Log P: 1.8836042
• Molar Refractivity: 40.3268 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: 163 - 165°C
• Hydrophobicity(logP): 1.822

Product Information

• Purity: 95%