[(1-methyl-1H-imidazol-2-yl)methyl](propan-2-yl)amine

• ChemBase ID: 307005
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: c1(n(ccn1)C)CNC(C)C
• Canonical SMILES: CC(NCc1nccn1C)C
• InChI: InChI=1S/C8H15N3/c1-7(2)10-6-8-9-4-5-11(8)3/h4-5,7,10H,6H2,1-3H3
• InChIKey: MZGSWPKAQUZWCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-methyl-1H-imidazol-2-yl)methyl](propan-2-yl)amine
• IUPAC Traditional name: isopropyl[(1-methylimidazol-2-yl)methyl]amine
• Synonyms: N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-2-amine

Database IDs

• CAS Number: 474056-47-8
• MDL Number: MFCD06740595

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9536676
• LogD (pH = 7.4): -0.30177394
• Log P: 0.48335013
• Molar Refractivity: 45.6519 cm^3
• Polarizability: 17.79362 Å^3
• Polar Surface Area: 29.85 Å^2