{2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-yl}methanamine

• ChemBase ID: 284366
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: c12n(cc(n1)C)CCCC2CN
• Canonical SMILES: NCC1CCCn2c1nc(c2)C
• InChI: InChI=1S/C9H15N3/c1-7-6-12-4-2-3-8(5-10)9(12)11-7/h6,8H,2-5,10H2,1H3
• InChIKey: FPUGAZVPMGBIRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-yl}methanamine
• IUPAC Traditional name: {2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-yl}methanamine
• Synonyms: {2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-yl}methanamine

Database IDs

• MDL Number: MFCD22566102
• PubChem SID: 180669897
• PubChem CID: 71929450

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6389165
• LogD (pH = 7.4): -2.086547
• Log P: 0.15979171
• Molar Refractivity: 48.4447 cm^3
• Polarizability: 18.751259 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.119

Product Information

• Purity: 95%