[2-(cyclohexyloxy)pyridin-4-yl]methanamine

• ChemBase ID: 266945
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: c1(nccc(c1)CN)OC1CCCCC1
• Canonical SMILES: NCc1ccnc(c1)OC1CCCCC1
• InChI: InChI=1S/C12H18N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h6-8,11H,1-5,9,13H2
• InChIKey: ULGNIWUOIJPCIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclohexyloxy)pyridin-4-yl]methanamine
• IUPAC Traditional name: [2-(cyclohexyloxy)pyridin-4-yl]methanamine
• Synonyms: [2-(cyclohexyloxy)pyridin-4-yl]methanamine

Database IDs

• MDL Number: MFCD09258825
• PubChem SID: 164322855
• PubChem CID: 16780874

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.83084196
• LogD (pH = 7.4): 0.33670008
• Log P: 2.1173987
• Molar Refractivity: 60.1654 cm^3
• Polarizability: 23.796288 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.448

Product Information

• Purity: 95%