cyclopentyl(pyridin-2-yl)methanamine

• ChemBase ID: 284871
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: C(c1ncccc1)(C1CCCC1)N
• Canonical SMILES: NC(c1ccccn1)C1CCCC1
• InChI: InChI=1S/C11H16N2/c12-11(9-5-1-2-6-9)10-7-3-4-8-13-10/h3-4,7-9,11H,1-2,5-6,12H2
• InChIKey: VRSXRUYHYMYXKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(pyridin-2-yl)methanamine
• IUPAC Traditional name: cyclopentyl(pyridin-2-yl)methanamine
• Synonyms: cyclopentyl(pyridin-2-yl)methanamine

Database IDs

• MDL Number: MFCD12153902
• PubChem SID: 180670402
• PubChem CID: 22300077

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0254042
• LogD (pH = 7.4): 0.3694683
• Log P: 1.8444846
• Molar Refractivity: 52.7416 cm^3
• Polarizability: 21.296562 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.468

Product Information

• Purity: 95%