N-(2-methylpropyl)cyclopropanamine

• ChemBase ID: 263982
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: C1(CC1)NCC(C)C
• Canonical SMILES: CC(CNC1CC1)C
• InChI: InChI=1S/C7H15N/c1-6(2)5-8-7-3-4-7/h6-8H,3-5H2,1-2H3
• InChIKey: QMRZIRCYXDFUCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)cyclopropanamine
• IUPAC Traditional name: N-(2-methylpropyl)cyclopropanamine
• Synonyms: N-(2-methylpropyl)cyclopropanamine; N-isobutylcyclopropanamine

Database IDs

• CAS Number: 1020353-46-1
• MDL Number: MFCD09047821
• PubChem SID: 164319892
• PubChem CID: 16775388

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7163818
• LogD (pH = 7.4): -1.3106292
• Log P: 1.5169892
• Molar Refractivity: 35.6488 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.523

Product Information

• Purity: 95%