N,N-dimethyl-5-[(methylamino)methyl]pyridin-2-amine

• ChemBase ID: 283994
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1c(N(C)C)ccc(c1)CNC
• Canonical SMILES: CNCc1ccc(nc1)N(C)C
• InChI: InChI=1S/C9H15N3/c1-10-6-8-4-5-9(11-7-8)12(2)3/h4-5,7,10H,6H2,1-3H3
• InChIKey: NODIHALEAFJFBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-[(methylamino)methyl]pyridin-2-amine
• IUPAC Traditional name: N,N-dimethyl-5-[(methylamino)methyl]pyridin-2-amine
• Synonyms: N,N-dimethyl-5-[(methylamino)methyl]pyridin-2-amine

Database IDs

• MDL Number: MFCD12403451
• PubChem SID: 180669525
• PubChem CID: 54595827

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1678035
• LogD (pH = 7.4): -0.9085084
• Log P: 1.0164236
• Molar Refractivity: 51.8912 cm^3
• Polarizability: 19.464895 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.727

Product Information

• Purity: 95%