2-N,2-N-bis(prop-2-en-1-yl)pyridine-2,5-diamine

• ChemBase ID: 48322
• Molecular Formular: C11H15N3
• Molecular Mass: 189.2569
• Monoisotopic Mass: 189.1265975
• SMILES: n1c(N(CC=C)CC=C)ccc(c1)N
• Canonical SMILES: C=CCN(c1ccc(cn1)N)CC=C
• InChI: InChI=1S/C11H15N3/c1-3-7-14(8-4-2)11-6-5-10(12)9-13-11/h3-6,9H,1-2,7-8,12H2
• InChIKey: PIRWMPSMZGWEKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-bis(prop-2-en-1-yl)pyridine-2,5-diamine
• IUPAC Traditional name: 2-N,2-N-bis(prop-2-en-1-yl)pyridine-2,5-diamine
• Synonyms: N2,N2-Diallyl-2,5-pyridinediamine

Database IDs

• MDL Number: MFCD09882490
• PubChem SID: 162053085
• PubChem CID: 24253281

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.98759896
• LogD (pH = 7.4): 1.998193
• Log P: 2.0916486
• Molar Refractivity: 61.669 cm^3
• Polarizability: 22.289425 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