N-cycloheptylquinolin-5-amine

• ChemBase ID: 259284
• Molecular Formular: C16H20N2
• Molecular Mass: 240.3434
• Monoisotopic Mass: 240.16264865
• SMILES: c1(c2c(nccc2)ccc1)NC1CCCCCC1
• Canonical SMILES: C1CCCC(CC1)Nc1cccc2c1cccn2
• InChI: InChI=1S/C16H20N2/c1-2-4-8-13(7-3-1)18-16-11-5-10-15-14(16)9-6-12-17-15/h5-6,9-13,18H,1-4,7-8H2
• InChIKey: FYQWYCVXMLARKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptylquinolin-5-amine
• IUPAC Traditional name: N-cycloheptylquinolin-5-amine
• Synonyms: N-cycloheptylquinolin-5-amine

Database IDs

• MDL Number: MFCD11118058
• PubChem SID: 164315194
• PubChem CID: 29040754

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6854272
• LogD (pH = 7.4): 3.8450048
• Log P: 3.8475177
• Molar Refractivity: 75.7883 cm^3
• Polarizability: 30.341978 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100 - 102°C
• Hydrophobicity(logP): 4.847

Product Information

• Purity: 95%