N-cyclopentylquinolin-8-amine

• ChemBase ID: 270403
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: c1(c2ncccc2ccc1)NC1CCCC1
• Canonical SMILES: C1CCC(C1)Nc1cccc2c1nccc2
• InChI: InChI=1S/C14H16N2/c1-2-8-12(7-1)16-13-9-3-5-11-6-4-10-15-14(11)13/h3-6,9-10,12,16H,1-2,7-8H2
• InChIKey: WMXLJJZXVIYWGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11141625
• PubChem SID: 164326313
• PubChem CID: 28440786

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 2.9422052
• LogD (pH = 7.4): 2.9581728
• Log P: 2.9583805
• Molar Refractivity: 66.5863 cm^3
• Polarizability: 26.651764 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 17.968641
• H Acceptors: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.729

Product Information

• Purity: 95%