2-N-(propan-2-yl)pyridine-2,5-diamine

• ChemBase ID: 308982
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(NC(C)C)ccc(c1)N
• Canonical SMILES: CC(Nc1ccc(cn1)N)C
• InChI: InChI=1S/C8H13N3/c1-6(2)11-8-4-3-7(9)5-10-8/h3-6H,9H2,1-2H3,(H,10,11)
• InChIKey: GIFWHQBUBNUEBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-(propan-2-yl)pyridine-2,5-diamine
• IUPAC Traditional name: 2-N-isopropylpyridine-2,5-diamine
• Synonyms: N~2~-isopropyl-2,5-pyridinediamine

Database IDs

• CAS Number: 52025-41-9
• MDL Number: MFCD09047761

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.4620967
• LogD (pH = 7.4): 0.61371773
• Log P: 0.7672661
• Molar Refractivity: 48.2762 cm^3
• Polarizability: 17.232159 Å^3
• Polar Surface Area: 50.94 Å^2