3-(cyclohexylmethoxy)pyridin-2-amine

• ChemBase ID: 266754
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: c1(ncccc1OCC1CCCCC1)N
• Canonical SMILES: Nc1ncccc1OCC1CCCCC1
• InChI: InChI=1S/C12H18N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,13,14)
• InChIKey: GSQLAKVHHSYJHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexylmethoxy)pyridin-2-amine
• IUPAC Traditional name: 3-(cyclohexylmethoxy)pyridin-2-amine
• Synonyms: 3-(cyclohexylmethoxy)pyridin-2-amine

Database IDs

• MDL Number: MFCD10689932
• PubChem SID: 164322664
• PubChem CID: 13825890

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5277545
• LogD (pH = 7.4): 2.4228082
• Log P: 2.477717
• Molar Refractivity: 61.1232 cm^3
• Polarizability: 23.409075 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 3.592

Product Information

• Purity: 95%