2-N-cyclohexyl-2-N-methylpyridine-2,5-diamine

• ChemBase ID: 48331
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: c1(ncc(N)cc1)N(C1CCCCC1)C
• Canonical SMILES: Nc1ccc(nc1)N(C1CCCCC1)C
• InChI: InChI=1S/C12H19N3/c1-15(11-5-3-2-4-6-11)12-8-7-10(13)9-14-12/h7-9,11H,2-6,13H2,1H3
• InChIKey: NFYSXZBRDRIRER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-cyclohexyl-2-N-methylpyridine-2,5-diamine
• IUPAC Traditional name: 2-N-cyclohexyl-2-N-methylpyridine-2,5-diamine
• Synonyms: N2-Cyclohexyl-N2-methyl-2,5-pyridinediamine

Database IDs

• MDL Number: MFCD09739184
• PubChem SID: 162053094
• PubChem CID: 15887620

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.278095
• LogD (pH = 7.4): 2.3172245
• Log P: 2.4284194
• Molar Refractivity: 64.3578 cm^3
• Polarizability: 23.874102 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false