ethyl[2-methyl-1-(pyridin-3-yl)propyl]amine

• ChemBase ID: 270086
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: C(c1cnccc1)(NCC)C(C)C
• Canonical SMILES: CCNC(c1cccnc1)C(C)C
• InChI: InChI=1S/C11H18N2/c1-4-13-11(9(2)3)10-6-5-7-12-8-10/h5-9,11,13H,4H2,1-3H3
• InChIKey: HRQKFYCBEGUAMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-methyl-1-(pyridin-3-yl)propyl]amine
• IUPAC Traditional name: ethyl[2-methyl-1-(pyridin-3-yl)propyl]amine
• Synonyms: ethyl[2-methyl-1-(pyridin-3-yl)propyl]amine

Database IDs

• MDL Number: MFCD12154250
• PubChem SID: 164325996
• PubChem CID: 50987966

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2237856
• LogD (pH = 7.4): -0.28320092
• Log P: 1.9748005
• Molar Refractivity: 55.3121 cm^3
• Polarizability: 22.036058 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.779

Product Information

• Purity: 95%