[1-(propan-2-yl)cyclopropyl]methanamine

• ChemBase ID: 307988
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(CC1)(C(C)C)CN
• Canonical SMILES: NCC1(CC1)C(C)C
• InChI: InChI=1S/C7H15N/c1-6(2)7(5-8)3-4-7/h6H,3-5,8H2,1-2H3
• InChIKey: AGGHXCYXDNEQQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(propan-2-yl)cyclopropyl]methanamine
• IUPAC Traditional name: (1-isopropylcyclopropyl)methanamine
• Synonyms: 1-(1-isopropylcyclopropyl)methanamine

Database IDs

• CAS Number: 1015846-33-9
• MDL Number: MFCD09971226

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.750042
• LogD (pH = 7.4): -1.1229038
• Log P: 1.264707
• Molar Refractivity: 35.4085 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2