4,4-dimethyl-2-(pyridin-2-yl)pentan-1-amine

• ChemBase ID: 274525
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: C(c1ncccc1)(CC(C)(C)C)CN
• Canonical SMILES: NCC(c1ccccn1)CC(C)(C)C
• InChI: InChI=1S/C12H20N2/c1-12(2,3)8-10(9-13)11-6-4-5-7-14-11/h4-7,10H,8-9,13H2,1-3H3
• InChIKey: IVTINFPTBJPLOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethyl-2-(pyridin-2-yl)pentan-1-amine
• IUPAC Traditional name: 4,4-dimethyl-2-(pyridin-2-yl)pentan-1-amine
• Synonyms: 4,4-dimethyl-2-(pyridin-2-yl)pentan-1-amine

Database IDs

• MDL Number: MFCD18838857
• PubChem SID: 164330435
• PubChem CID: 54593218

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7870889
• LogD (pH = 7.4): 0.06375124
• Log P: 2.2190163
• Molar Refractivity: 59.3519 cm^3
• Polarizability: 23.805902 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.191

Product Information

• Purity: 95%