tert-butyl(pyridin-2-ylmethyl)amine

• ChemBase ID: 261777
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1c(CNC(C)(C)C)cccc1
• Canonical SMILES: CC(NCc1ccccn1)(C)C
• InChI: InChI=1S/C10H16N2/c1-10(2,3)12-8-9-6-4-5-7-11-9/h4-7,12H,8H2,1-3H3
• InChIKey: SZUFARVXWKYOMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58669-32-2
• MDL Number: MFCD07411564
• PubChem SID: 164317687
• PubChem CID: 4723799

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4746183
• LogD (pH = 7.4): 0.12513861
• Log P: 1.4493538
• Molar Refractivity: 50.4325 cm^3
• Polarizability: 20.190737 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.25

Product Information

• Purity: 95%