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

• ChemBase ID: 284367
• Molecular Formular: C12H21N3
• Molecular Mass: 207.31524
• Monoisotopic Mass: 207.17354769
• SMILES: n1c2n(cc1C(C)(C)C)CCCC2CN
• Canonical SMILES: NCC1CCCn2c1nc(c2)C(C)(C)C
• InChI: InChI=1S/C12H21N3/c1-12(2,3)10-8-15-6-4-5-9(7-13)11(15)14-10/h8-9H,4-7,13H2,1-3H3
• InChIKey: XDRYWVURGYHVCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21647144
• PubChem SID: 180669898
• PubChem CID: 73994631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6902052
• LogD (pH = 7.4): -0.2726363
• Log P: 1.9593282
• Molar Refractivity: 62.1471 cm^3
• Polarizability: 24.27967 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.208

Product Information

• Purity: 95%