methyl[1-(1-methylcyclopropyl)ethyl]amine hydrochloride

• ChemBase ID: 236024
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1(CC1)(C(NC)C)C.Cl
• Canonical SMILES: CNC(C1(C)CC1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(8-3)7(2)4-5-7;/h6,8H,4-5H2,1-3H3;1H
• InChIKey: GXKXNZKIFRJBCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(1-methylcyclopropyl)ethyl]amine hydrochloride
• IUPAC Traditional name: methyl[1-(1-methylcyclopropyl)ethyl]amine hydrochloride
• Synonyms: methyl[1-(1-methylcyclopropyl)ethyl]amine hydrochloride

Database IDs

• MDL Number: MFCD22196492
• PubChem SID: 164291934
• PubChem CID: 71755623

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8529063
• LogD (pH = 7.4): -1.5056139
• Log P: 1.3822746
• Molar Refractivity: 35.4523 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 1.283

Product Information

• Purity: 95%