1-(2-methylpropyl)cyclopropan-1-amine

• ChemBase ID: 307686
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(CC1)(N)CC(C)C
• Canonical SMILES: CC(CC1(N)CC1)C
• InChI: InChI=1S/C7H15N/c1-6(2)5-7(8)3-4-7/h6H,3-5,8H2,1-2H3
• InChIKey: YTAQAMHOCUWJIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(2-methylpropyl)cyclopropan-1-amine
• Synonyms: (1-isobutylcyclopropyl)amine

Database IDs

• CAS Number: 944143-76-4
• MDL Number: MFCD09837337

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.650791
• LogD (pH = 7.4): -1.2802614
• Log P: 1.3747925
• Molar Refractivity: 35.4418 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2