[(2-methylcyclopropyl)methyl](propan-2-yl)amine hydrochloride

• ChemBase ID: 280751
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: C1(CC1C)CNC(C)C.Cl
• Canonical SMILES: CC(NCC1CC1C)C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-6(2)9-5-8-4-7(8)3;/h6-9H,4-5H2,1-3H3;1H
• InChIKey: DXHGLWSYEJKHJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methylcyclopropyl)methyl](propan-2-yl)amine hydrochloride
• IUPAC Traditional name: isopropyl[(2-methylcyclopropyl)methyl]amine hydrochloride
• Synonyms: [(2-methylcyclopropyl)methyl](propan-2-yl)amine hydrochloride

Database IDs

• MDL Number: MFCD20441591
• PubChem SID: 180666282
• PubChem CID: 54595367

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5894753
• LogD (pH = 7.4): -1.3345989
• Log P: 1.6481009
• Molar Refractivity: 40.3514 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175 - 177°C
• Hydrophobicity(logP): 1.812

Product Information

• Purity: 95%