4-(1,3-dimethylimidazolidin-2-yl)pyridine

• ChemBase ID: 84807
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(C(c2ccncc2)N(CC1)C)C
• Canonical SMILES: CN1CCN(C1c1ccncc1)C
• InChI: InChI=1S/C10H15N3/c1-12-7-8-13(2)10(12)9-3-5-11-6-4-9/h3-6,10H,7-8H2,1-2H3
• InChIKey: OZJLZJAWPVLMIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,3-dimethylimidazolidin-2-yl)pyridine
• IUPAC Traditional name: 4-(1,3-dimethylimidazolidin-2-yl)pyridine
• Synonyms: 4-(1,3-Dimethylimidazolidin-2-yl)pyridine

Database IDs

• MDL Number: MFCD01570900
• PubChem SID: 162071923
• PubChem CID: 567476

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.09911264
• LogD (pH = 7.4): 0.84393746
• Log P: 0.8699678
• Molar Refractivity: 53.2315 cm^3
• Polarizability: 20.968359 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant