5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-ylmethanamine

• ChemBase ID: 268090
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c2n(cc1CN)CCCC2
• Canonical SMILES: NCc1nc2n(c1)CCCC2
• InChI: InChI=1S/C8H13N3/c9-5-7-6-11-4-2-1-3-8(11)10-7/h6H,1-5,9H2
• InChIKey: WUWAAVDRLMQLJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-ylmethanamine
• IUPAC Traditional name: 5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-ylmethanamine
• Synonyms: 5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-ylmethanamine

Database IDs

• MDL Number: MFCD16622053
• PubChem SID: 164324000
• PubChem CID: 47003215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.727992
• LogD (pH = 7.4): -1.1332494
• Log P: 0.08032855
• Molar Refractivity: 43.7977 cm^3
• Polarizability: 16.98321 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.218

Product Information

• Purity: 95%