(propan-2-yl)[2-(pyridin-2-yl)ethyl]amine

• ChemBase ID: 280789
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1c(CCNC(C)C)cccc1
• Canonical SMILES: CC(NCCc1ccccn1)C
• InChI: InChI=1S/C10H16N2/c1-9(2)11-8-6-10-5-3-4-7-12-10/h3-5,7,9,11H,6,8H2,1-2H3
• InChIKey: OUYHOSBITBAACX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (propan-2-yl)[2-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: isopropyl[2-(pyridin-2-yl)ethyl]amine
• Synonyms: propan-2-yl[2-(pyridin-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD00023541
• PubChem SID: 180666320
• PubChem CID: 23518730

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8200091
• LogD (pH = 7.4): -1.0561599
• Log P: 1.4057899
• Molar Refractivity: 50.4937 cm^3
• Polarizability: 20.113455 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.92

Product Information

• Purity: 95%