6-chloro-N-cyclohexyl-N-ethylpyridin-2-amine

• ChemBase ID: 48694
• Molecular Formular: C13H19ClN2
• Molecular Mass: 238.75636
• Monoisotopic Mass: 238.1236763
• SMILES: n1c(N(C2CCCCC2)CC)cccc1Cl
• Canonical SMILES: CCN(c1cccc(n1)Cl)C1CCCCC1
• InChI: InChI=1S/C13H19ClN2/c1-2-16(11-7-4-3-5-8-11)13-10-6-9-12(14)15-13/h6,9-11H,2-5,7-8H2,1H3
• InChIKey: PGBHCFSYLOPPGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-cyclohexyl-N-ethylpyridin-2-amine
• IUPAC Traditional name: 6-chloro-N-cyclohexyl-N-ethylpyridin-2-amine
• Synonyms: 6-Chloro-N-cyclohexyl-N-ethyl-2-pyridinamine

Database IDs

• MDL Number: MFCD13561965
• PubChem SID: 162053457
• PubChem CID: 53410293

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.437957
• LogD (pH = 7.4): 4.4383698
• Log P: 4.438375
• Molar Refractivity: 70.2721 cm^3
• Polarizability: 26.498219 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false