2-methyl-2-(pyridin-3-yl)propan-1-amine

• ChemBase ID: 802800
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: NCC(C)(c1cnccc1)C
• Canonical SMILES: NCC(c1cccnc1)(C)C
• InChI: InChI=1S/C9H14N2/c1-9(2,7-10)8-4-3-5-11-6-8/h3-6H,7,10H2,1-2H3
• InChIKey: OWSBKTMKKKURHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(pyridin-3-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-2-(pyridin-3-yl)propan-1-amine
• Synonyms: 2-METHYL-2-PYRIDIN-3-YL-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0728085
• LogD (pH = 7.4): -1.0641367
• Log P: 0.9129767
• Molar Refractivity: 45.9992 cm^3
• Polarizability: 18.264776 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%