(cyclohex-3-en-1-ylmethyl)({imidazo[1,2-a]pyridin-3-ylmethyl})methylamine

• ChemBase ID: 701434
• Molecular Formular: C16H21N3
• Molecular Mass: 255.35804
• Monoisotopic Mass: 255.17354769
• SMILES: n12c(cnc1cccc2)CN(CC1CC=CCC1)C
• Canonical SMILES: CN(Cc1cnc2n1cccc2)CC1CCC=CC1
• InChI: InChI=1S/C16H21N3/c1-18(12-14-7-3-2-4-8-14)13-15-11-17-16-9-5-6-10-19(15)16/h2-3,5-6,9-11,14H,4,7-8,12-13H2,1H3
• InChIKey: NADWVSADDRRVBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohex-3-en-1-ylmethyl)({imidazo[1,2-a]pyridin-3-ylmethyl})methylamine
• IUPAC Traditional name: (cyclohex-3-en-1-ylmethyl)({imidazo[1,2-a]pyridin-3-ylmethyl})methylamine
• Synonyms: (cyclohex-3-en-1-ylmethyl)(imidazo[1,2-a]pyridin-3-ylmethyl)methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0066047
• LogD (pH = 7.4): 0.67608905
• Log P: 2.373309
• Molar Refractivity: 81.2182 cm^3
• Polarizability: 30.442242 Å^3
• Polar Surface Area: 20.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.32
• LOG S: -2.89
• Polar Surface Area: 20.54 Å^2
• Rotatable Bonds: 4