3-(aminomethyl)-N-methylpyridin-2-amine

• ChemBase ID: 281462
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1(c(CN)cccn1)NC
• Canonical SMILES: CNc1ncccc1CN
• InChI: InChI=1S/C7H11N3/c1-9-7-6(5-8)3-2-4-10-7/h2-4H,5,8H2,1H3,(H,9,10)
• InChIKey: IGYVKGUNRCIJDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(aminomethyl)-N-methylpyridin-2-amine
• IUPAC Traditional name: 3-(aminomethyl)-N-methylpyridin-2-amine
• Synonyms: 3-(aminomethyl)-N-methylpyridin-2-amine

Database IDs

• MDL Number: MFCD12913252
• PubChem SID: 180666993
• PubChem CID: 14518301

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9460328
• LogD (pH = 7.4): -1.4106693
• Log P: -0.051422518
• Molar Refractivity: 42.8818 cm^3
• Polarizability: 15.776262 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.068

Product Information

• Purity: 95%