[1-(2-methylpropyl)-1H-imidazol-5-yl]methanamine

• ChemBase ID: 307372
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1(c(cnc1)CN)CC(C)C
• Canonical SMILES: NCc1cncn1CC(C)C
• InChI: InChI=1S/C8H15N3/c1-7(2)5-11-6-10-4-8(11)3-9/h4,6-7H,3,5,9H2,1-2H3
• InChIKey: SNIUHBHPADLOGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methylpropyl)-1H-imidazol-5-yl]methanamine
• IUPAC Traditional name: [3-(2-methylpropyl)imidazol-4-yl]methanamine
• Synonyms: 1-(1-isobutyl-1H-imidazol-5-yl)methanamine

Database IDs

• MDL Number: MFCD09971179

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5890684
• LogD (pH = 7.4): -0.94808024
• Log P: 0.36852458
• Molar Refractivity: 46.0046 cm^3
• Polarizability: 17.792528 Å^3
• Polar Surface Area: 43.84 Å^2