methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]amine

• ChemBase ID: 307651
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1(c(ncc1)CCCNC)C
• Canonical SMILES: CNCCCc1nccn1C
• InChI: InChI=1S/C8H15N3/c1-9-5-3-4-8-10-6-7-11(8)2/h6-7,9H,3-5H2,1-2H3
• InChIKey: DDHOOAHZOZOEHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]amine
• IUPAC Traditional name: methyl[3-(1-methylimidazol-2-yl)propyl]amine
• Synonyms: N-methyl-3-(1-methyl-1H-imidazol-2-yl)propan-1-amine

Database IDs

• MDL Number: MFCD09971193

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9279468
• LogD (pH = 7.4): -2.5856109
• Log P: 0.23564108
• Molar Refractivity: 45.9389 cm^3
• Polarizability: 17.71717 Å^3
• Polar Surface Area: 29.85 Å^2