tert-butyl(pyridin-4-ylmethyl)amine

• ChemBase ID: 312464
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: N(C(C)(C)C)Cc1ccncc1
• Canonical SMILES: CC(NCc1ccncc1)(C)C
• InChI: InChI=1S/C10H16N2/c1-10(2,3)12-8-9-4-6-11-7-5-9/h4-7,12H,8H2,1-3H3
• InChIKey: UGLYNSYFPJUZTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: tert-butyl(pyridin-4-ylmethyl)amine
• Synonyms: 2-methyl-N-(4-pyridinylmethyl)-2-propanamine

Database IDs

• CAS Number: 341008-29-5
• MDL Number: MFCD01426992

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8177154
• LogD (pH = 7.4): -0.7910441
• Log P: 1.3678819
• Molar Refractivity: 50.9547 cm^3
• Polarizability: 20.1896 Å^3
• Polar Surface Area: 24.92 Å^2