(2-tert-butylpyridin-4-yl)methanamine

• ChemBase ID: 801440
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: NCc1cc(ncc1)C(C)(C)C
• Canonical SMILES: NCc1ccnc(c1)C(C)(C)C
• InChI: InChI=1S/C10H16N2/c1-10(2,3)9-6-8(7-11)4-5-12-9/h4-6H,7,11H2,1-3H3
• InChIKey: WHIGWOSXOHAQMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-tert-butylpyridin-4-yl)methanamine
• IUPAC Traditional name: (2-tert-butylpyridin-4-yl)methanamine
• Synonyms: (2-TERT-BUTYLPYRIDIN-4-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1563679
• LogD (pH = 7.4): -0.069574945
• Log P: 1.8122485
• Molar Refractivity: 50.6684 cm^3
• Polarizability: 20.108028 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%