(1-ethyl-1H-imidazol-5-yl)methanamine

• ChemBase ID: 307371
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1(c(cnc1)CN)CC
• Canonical SMILES: NCc1cncn1CC
• InChI: InChI=1S/C6H11N3/c1-2-9-5-8-4-6(9)3-7/h4-5H,2-3,7H2,1H3
• InChIKey: JMVGTUJLDTZQFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethyl-1H-imidazol-5-yl)methanamine
• IUPAC Traditional name: (3-ethylimidazol-4-yl)methanamine
• Synonyms: 1-(1-ethyl-1H-imidazol-5-yl)methanamine

Database IDs

• MDL Number: MFCD09971178

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4773397
• LogD (pH = 7.4): -1.8360146
• Log P: -0.5189706
• Molar Refractivity: 37.009 cm^3
• Polarizability: 14.106598 Å^3
• Polar Surface Area: 43.84 Å^2