3-(aminomethyl)-4,6-dimethylpyridin-2-amine

• ChemBase ID: 114719
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(c(c(cc(n1)C)C)CN)N
• Canonical SMILES: NCc1c(C)cc(nc1N)C
• InChI: InChI=1S/C8H13N3/c1-5-3-6(2)11-8(10)7(5)4-9/h3H,4,9H2,1-2H3,(H2,10,11)
• InChIKey: YIBATIFWEVKVHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminomethyl)-4,6-dimethylpyridin-2-amine
• IUPAC Traditional name: 3-(aminomethyl)-4,6-dimethylpyridin-2-amine
• Synonyms: 3-Aminomethyl-4,6-dimethyl-pyridin-2-ylamine

Database IDs

• CAS Number: 96551-20-1
• MDL Number: MFCD09863944
• PubChem SID: 162100040
• PubChem CID: 13522316

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.514799
• LogD (pH = 7.4): -1.1924123
• Log P: 0.29166496
• Molar Refractivity: 47.0211 cm^3
• Polarizability: 17.463902 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.253

Product Information

• Purity: 95+%