1-methyl-1-(pyridin-2-ylmethyl)guanidine

• ChemBase ID: 307461
• Molecular Formular: C8H12N4
• Molecular Mass: 164.20768
• Monoisotopic Mass: 164.1061964
• SMILES: C(=N)(N(Cc1ncccc1)C)N
• Canonical SMILES: NC(=N)N(Cc1ccccn1)C
• InChI: InChI=1S/C8H12N4/c1-12(8(9)10)6-7-4-2-3-5-11-7/h2-5H,6H2,1H3,(H3,9,10)
• InChIKey: GMTGRMHHCQZHEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1-(pyridin-2-ylmethyl)guanidine
• IUPAC Traditional name: 1-methyl-1-(pyridin-2-ylmethyl)guanidine
• Synonyms: N-methyl-N-(pyridin-2-ylmethyl)guanidine

Database IDs

• MDL Number: MFCD09055338

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.524435
• LogD (pH = 7.4): -2.5224445
• Log P: -0.10898097
• Molar Refractivity: 57.8616 cm^3
• Polarizability: 17.948168 Å^3
• Polar Surface Area: 66.0 Å^2