[6-(cyclopentyloxy)pyridin-3-yl]methanamine

• ChemBase ID: 259352
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: n1c(OC2CCCC2)ccc(c1)CN
• Canonical SMILES: NCc1ccc(nc1)OC1CCCC1
• InChI: InChI=1S/C11H16N2O/c12-7-9-5-6-11(13-8-9)14-10-3-1-2-4-10/h5-6,8,10H,1-4,7,12H2
• InChIKey: JMYQHZNTWVFDCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(cyclopentyloxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(cyclopentyloxy)pyridin-3-yl]methanamine
• Synonyms: [6-(cyclopentyloxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD09730627
• PubChem SID: 164315262
• PubChem CID: 16783901

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2688906
• LogD (pH = 7.4): -0.07481255
• Log P: 1.67283
• Molar Refractivity: 55.5644 cm^3
• Polarizability: 21.952795 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.889

Product Information

• Purity: 95%