{3-ethylimidazo[1,5-a]pyridin-1-yl}methanamine

• ChemBase ID: 275859
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n12c(c(nc1CC)CN)cccc2
• Canonical SMILES: NCc1nc(n2c1cccc2)CC
• InChI: InChI=1S/C10H13N3/c1-2-10-12-8(7-11)9-5-3-4-6-13(9)10/h3-6H,2,7,11H2,1H3
• InChIKey: OTZONCUDKDTMDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-ethylimidazo[1,5-a]pyridin-1-yl}methanamine
• IUPAC Traditional name: {3-ethylimidazo[1,5-a]pyridin-1-yl}methanamine
• Synonyms: {3-ethylimidazo[1,5-a]pyridin-1-yl}methanamine

Database IDs

• MDL Number: MFCD10023896
• PubChem SID: 164331769
• PubChem CID: 28752168

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6933892
• LogD (pH = 7.4): -0.9046509
• Log P: 0.44224656
• Molar Refractivity: 53.3555 cm^3
• Polarizability: 20.952444 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.156

Product Information

• Purity: 95%