methylbis[2-(pyridin-2-yl)ethyl]amine

• ChemBase ID: 173402
• Molecular Formular: C15H19N3
• Molecular Mass: 241.33146
• Monoisotopic Mass: 241.15789762
• SMILES: c1cccc(n1)CCN(CCc1ccccn1)C
• Canonical SMILES: CN(CCc1ccccn1)CCc1ccccn1
• InChI: InChI=1S/C15H19N3/c1-18(12-8-14-6-2-4-10-16-14)13-9-15-7-3-5-11-17-15/h2-7,10-11H,8-9,12-13H2,1H3
• InChIKey: PQHKIDBZBKQYMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylbis[2-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: methylbis[2-(pyridin-2-yl)ethyl]amine
• Synonyms: N-Methyl-N-[2-(2-pyridinyl)ethyl]-2-pyridineethanamine; Methylbis(2-pyridylethyl)amine; N-Methylbis[2-(2-pyridylethyl)]amine; NSC 19005; N-Methyl-N,N-bis(2-pyridylethyl)amine

Database IDs

• CAS Number: 5452-87-9
• PubChem SID: 164229312
• PubChem CID: 227430

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2763407
• LogD (pH = 7.4): 0.40391436
• Log P: 1.8407401
• Molar Refractivity: 73.2539 cm^3
• Polarizability: 28.73498 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M294215

N-Methyl-N,N-bis(2-pyridylethyl)amine is used as a reagent in the preparation of copper pyridylmethylethylenediamine dicyanamido polymeric complexes.

REFERENCES

• Mautner, F.A. et al.: Inorg. Chim. Acta, 362, 4073 (2009)