{imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)[3-(methylsulfanyl)butyl]amine

• ChemBase ID: 502693
• Molecular Formular: C14H21N3S
• Molecular Mass: 263.40164
• Monoisotopic Mass: 263.14561869
• SMILES: n12c(cnc1cccc2)CN(CCC(SC)C)C
• Canonical SMILES: CSC(CCN(Cc1cnc2n1cccc2)C)C
• InChI: InChI=1S/C14H21N3S/c1-12(18-3)7-9-16(2)11-13-10-15-14-6-4-5-8-17(13)14/h4-6,8,10,12H,7,9,11H2,1-3H3
• InChIKey: MSMPOMMPPZSEGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)[3-(methylsulfanyl)butyl]amine
• IUPAC Traditional name: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)[3-(methylsulfanyl)butyl]amine
• Synonyms: (imidazo[1,2-a]pyridin-3-ylmethyl)methyl[3-(methylthio)butyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0213416
• LogD (pH = 7.4): 0.84100693
• Log P: 1.9419807
• Molar Refractivity: 80.6619 cm^3
• Polarizability: 30.776045 Å^3
• Polar Surface Area: 20.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.58
• LOG S: -2.32
• Polar Surface Area: 20.54 Å^2
• Rotatable Bonds: 6