N-[(1Z)-cyclopentylidene]pyridin-2-amine

• ChemBase ID: 229975
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: N(=C1CCCC1)c1ncccc1
• Canonical SMILES: c1ccc(nc1)N=C1CCCC1
• InChI: InChI=1S/C10H12N2/c1-2-6-9(5-1)12-10-7-3-4-8-11-10/h3-4,7-8H,1-2,5-6H2
• InChIKey: PSHJVIOZMIRCOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1Z)-cyclopentylidene]pyridin-2-amine
• IUPAC Traditional name: N-[(1Z)-cyclopentylidene]pyridin-2-amine
• Synonyms: Cyclopentylidene-pyridin-2-yl-amine

Database IDs

• MDL Number: MFCD03965296
• PubChem SID: 164285885
• PubChem CID: 3818241

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5820217
• LogD (pH = 7.4): 2.5821674
• Log P: 2.5821693
• Molar Refractivity: 50.5486 cm^3
• Polarizability: 18.628944 Å^3
• Polar Surface Area: 25.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.314

Product Information

• Purity: 95%