N-(2-methylpropyl)cyclopropanamine hydrochloride

• ChemBase ID: 255091
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1(CC1)NCC(C)C.Cl
• Canonical SMILES: CC(CNC1CC1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(2)5-8-7-3-4-7;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: CJPHYNFNCRWYQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)cyclopropanamine hydrochloride
• IUPAC Traditional name: N-(2-methylpropyl)cyclopropanamine hydrochloride
• Synonyms: N-cyclopropyl-N-isobutylamine hydrochloride

Database IDs

• MDL Number: MFCD09971419
• PubChem SID: 164311001
• PubChem CID: 24686264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7163818
• LogD (pH = 7.4): -1.3106292
• Log P: 1.5169892
• Molar Refractivity: 35.6488 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187 - 189°C
• Hydrophobicity(logP): 1.293

Product Information

• Purity: 95%