2-N,2-N-bis(prop-2-en-1-yl)pyridine-2,3-diamine

• ChemBase ID: 48512
• Molecular Formular: C11H15N3
• Molecular Mass: 189.2569
• Monoisotopic Mass: 189.1265975
• SMILES: c1(ncccc1N)N(CC=C)CC=C
• Canonical SMILES: C=CCN(c1ncccc1N)CC=C
• InChI: InChI=1S/C11H15N3/c1-3-8-14(9-4-2)11-10(12)6-5-7-13-11/h3-7H,1-2,8-9,12H2
• InChIKey: JDEPFHIMNYFYSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-bis(prop-2-en-1-yl)pyridine-2,3-diamine
• IUPAC Traditional name: 2-N,2-N-bis(prop-2-en-1-yl)pyridine-2,3-diamine
• Synonyms: N2,N2-Diallyl-2,3-pyridinediamine

Database IDs

• MDL Number: MFCD11562396
• PubChem SID: 162053275
• PubChem CID: 28846150

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.92285115
• LogD (pH = 7.4): 1.9721391
• Log P: 2.0916486
• Molar Refractivity: 61.669 cm^3
• Polarizability: 22.29083 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