5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-3-amine

• ChemBase ID: 282596
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n12c(cnc1CCCCC2)N
• Canonical SMILES: Nc1cnc2n1CCCCC2
• InChI: InChI=1S/C8H13N3/c9-7-6-10-8-4-2-1-3-5-11(7)8/h6H,1-5,9H2
• InChIKey: NIXOJBVQTSZOTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-3-amine
• IUPAC Traditional name: 5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-3-amine
• Synonyms: 5H,6H,7H,8H,9H-imidazo[1,2-a]azepin-3-amine

Database IDs

• MDL Number: MFCD18380782
• PubChem SID: 180668127
• PubChem CID: 50989680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4902803
• LogD (pH = 7.4): -0.19869848
• Log P: 0.57802194
• Molar Refractivity: 44.4012 cm^3
• Polarizability: 16.60045 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.104

Product Information

• Purity: 95%