2-N,2-N-dipropylpyridine-2,5-diamine

• ChemBase ID: 48330
• Molecular Formular: C11H19N3
• Molecular Mass: 193.28866
• Monoisotopic Mass: 193.15789762
• SMILES: n1c(N(CCC)CCC)ccc(c1)N
• Canonical SMILES: CCCN(c1ccc(cn1)N)CCC
• InChI: InChI=1S/C11H19N3/c1-3-7-14(8-4-2)11-6-5-10(12)9-13-11/h5-6,9H,3-4,7-8,12H2,1-2H3
• InChIKey: BCHVCLRGYHXZHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dipropylpyridine-2,5-diamine
• IUPAC Traditional name: 2-N,2-N-dipropylpyridine-2,5-diamine
• Synonyms: N2,N2-Dipropyl-2,5-pyridinediamine

Database IDs

• MDL Number: MFCD09044940
• PubChem SID: 162053093
• PubChem CID: 16772620

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2374055
• LogD (pH = 7.4): 2.2765806
• Log P: 2.3878095
• Molar Refractivity: 61.8888 cm^3
• Polarizability: 22.763657 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false