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

• ChemBase ID: 306852
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: c1(n(ccn1)CC)CNC
• Canonical SMILES: CNCc1nccn1CC
• InChI: InChI=1S/C7H13N3/c1-3-10-5-4-9-7(10)6-8-2/h4-5,8H,3,6H2,1-2H3
• InChIKey: DPAINHKACVOQJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-imidazol-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-ethylimidazol-2-yl)methyl](methyl)amine
• Synonyms: 1-(1-ethyl-1H-imidazol-2-yl)-N-methylmethanamine

Database IDs

• MDL Number: MFCD08060588

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2300367
• LogD (pH = 7.4): -0.5834722
• Log P: 0.0667751
• Molar Refractivity: 41.2331 cm^3
• Polarizability: 15.94998 Å^3
• Polar Surface Area: 29.85 Å^2