N-(2,2-dimethylpropyl)pyridin-3-amine

• ChemBase ID: 276514
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1cc(NCC(C)(C)C)ccc1
• Canonical SMILES: CC(CNc1cccnc1)(C)C
• InChI: InChI=1S/C10H16N2/c1-10(2,3)8-12-9-5-4-6-11-7-9/h4-7,12H,8H2,1-3H3
• InChIKey: GNYFTORFAKIQDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethylpropyl)pyridin-3-amine
• IUPAC Traditional name: N-(2,2-dimethylpropyl)pyridin-3-amine
• Synonyms: N-(2,2-dimethylpropyl)pyridin-3-amine

Database IDs

• MDL Number: MFCD14625008
• PubChem SID: 164332424
• PubChem CID: 54594222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5520939
• LogD (pH = 7.4): 1.8446063
• Log P: 1.8506556
• Molar Refractivity: 52.2372 cm^3
• Polarizability: 19.793287 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 2.972

Product Information

• Purity: 95%