N-cyclobutylquinolin-8-amine

• ChemBase ID: 271272
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: c1(c2ncccc2ccc1)NC1CCC1
• Canonical SMILES: C1CC(C1)Nc1cccc2c1nccc2
• InChI: InChI=1S/C13H14N2/c1-4-10-5-3-9-14-13(10)12(8-1)15-11-6-2-7-11/h1,3-5,8-9,11,15H,2,6-7H2
• InChIKey: VKQYWDSZLUKRDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutylquinolin-8-amine
• IUPAC Traditional name: N-cyclobutylquinolin-8-amine
• Synonyms: N-cyclobutylquinolin-8-amine

Database IDs

• MDL Number: MFCD16107888
• PubChem SID: 164327182
• PubChem CID: 50986267

CALCULATED PROPERTIES

• Acid pKa: 17.968498
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4986284
• LogD (pH = 7.4): 2.513617
• Log P: 2.5138118
• Molar Refractivity: 61.9853 cm^3
• Polarizability: 24.804802 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50°C
• Hydrophobicity(logP): 3.17

Product Information

• Purity: 95%