[1-(2-methylpropyl)cyclopropyl]methanamine hydrochloride

• ChemBase ID: 237421
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: C1(CC1)(CC(C)C)CN.Cl
• Canonical SMILES: NCC1(CC1)CC(C)C.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-7(2)5-8(6-9)3-4-8;/h7H,3-6,9H2,1-2H3;1H
• InChIKey: DCTFWZNHGSMNSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methylpropyl)cyclopropyl]methanamine hydrochloride
• IUPAC Traditional name: [1-(2-methylpropyl)cyclopropyl]methanamine hydrochloride
• Synonyms: [1-(2-methylpropyl)cyclopropyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD22369948
• PubChem SID: 164293331
• PubChem CID: 71755929

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3057742
• LogD (pH = 7.4): -0.68397367
• Log P: 1.7092757
• Molar Refractivity: 40.0095 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177 - 179°C
• Hydrophobicity(logP): 2.285

Product Information

• Purity: 95%