4-ethyl-2-(pyridin-2-yl)hexan-1-amine

• ChemBase ID: 274528
• Molecular Formular: C13H22N2
• Molecular Mass: 206.32718
• Monoisotopic Mass: 206.17829871
• SMILES: C(c1ncccc1)(CC(CC)CC)CN
• Canonical SMILES: NCC(c1ccccn1)CC(CC)CC
• InChI: InChI=1S/C13H22N2/c1-3-11(4-2)9-12(10-14)13-7-5-6-8-15-13/h5-8,11-12H,3-4,9-10,14H2,1-2H3
• InChIKey: WMSLVYDSQJGYJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-2-(pyridin-2-yl)hexan-1-amine
• IUPAC Traditional name: 4-ethyl-2-(pyridin-2-yl)hexan-1-amine
• Synonyms: 4-ethyl-2-(pyridin-2-yl)hexan-1-amine

Database IDs

• MDL Number: MFCD18838860
• PubChem SID: 164330438
• PubChem CID: 54593221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.19807646
• LogD (pH = 7.4): 0.65255886
• Log P: 2.8081064
• Molar Refractivity: 64.0788 cm^3
• Polarizability: 25.652632 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.85

Product Information

• Purity: 95%