2-{2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}ethan-1-amine

• ChemBase ID: 261980
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: n1c2n(c(c1C)CCN)CCCC2
• Canonical SMILES: NCCc1c(C)nc2n1CCCC2
• InChI: InChI=1S/C10H17N3/c1-8-9(5-6-11)13-7-3-2-4-10(13)12-8/h2-7,11H2,1H3
• InChIKey: OVCRFLLKNDXHEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}ethan-1-amine
• IUPAC Traditional name: 2-{2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}ethanamine
• Synonyms: 2-{2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}ethan-1-amine

Database IDs

• MDL Number: MFCD12913043
• PubChem SID: 164317890
• PubChem CID: 45791947

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.194467
• LogD (pH = 7.4): -2.4448314
• Log P: 0.11018769
• Molar Refractivity: 53.6543 cm^3
• Polarizability: 20.514643 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.11

Product Information

• Purity: 95%