2-(cyclohexyloxy)pyridin-4-amine

• ChemBase ID: 246333
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1(cc(N)ccn1)OC1CCCCC1
• Canonical SMILES: Nc1ccnc(c1)OC1CCCCC1
• InChI: InChI=1S/C11H16N2O/c12-9-6-7-13-11(8-9)14-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,12,13)
• InChIKey: LSZSCCXVZJNYLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohexyloxy)pyridin-4-amine
• IUPAC Traditional name: 2-(cyclohexyloxy)pyridin-4-amine
• Synonyms: 2-(cyclohexyloxy)pyridin-4-amine

Database IDs

• MDL Number: MFCD16084385
• PubChem SID: 164302243
• PubChem CID: 61709990

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0899504
• LogD (pH = 7.4): 2.079231
• Log P: 2.1627042
• Molar Refractivity: 56.3924 cm^3
• Polarizability: 21.564344 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 3.193

Product Information

• Purity: 95%