[5-(2-methylpropyl)pyrazin-2-yl]methanamine

• ChemBase ID: 801772
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: NCc1cnc(cn1)CC(C)C
• Canonical SMILES: NCc1ncc(nc1)CC(C)C
• InChI: InChI=1S/C9H15N3/c1-7(2)3-8-5-12-9(4-10)6-11-8/h5-7H,3-4,10H2,1-2H3
• InChIKey: KSSBQNTXAPILSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(2-methylpropyl)pyrazin-2-yl]methanamine
• IUPAC Traditional name: [5-(2-methylpropyl)pyrazin-2-yl]methanamine
• Synonyms: (5-ISOBUTYLPYRAZIN-2-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2863367
• LogD (pH = 7.4): -0.6316179
• Log P: 0.30863506
• Molar Refractivity: 48.0634 cm^3
• Polarizability: 19.191433 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%