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

• ChemBase ID: 241625
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1(c(ncc1)C)CCCNC
• Canonical SMILES: CNCCCn1ccnc1C
• InChI: InChI=1S/C8H15N3/c1-8-10-5-7-11(8)6-3-4-9-2/h5,7,9H,3-4,6H2,1-2H3
• InChIKey: CEKYCCUKUIBFHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14655744
• PubChem SID: 164297535
• PubChem CID: 23004664

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.347909
• LogD (pH = 7.4): -3.138053
• Log P: -0.10292709
• Molar Refractivity: 45.94 cm^3
• Polarizability: 17.717506 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.059

Product Information

• Purity: 95%