ethyl[1-(pyridin-4-yl)propyl]amine

• ChemBase ID: 277966
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1ccc(C(NCC)CC)cc1
• Canonical SMILES: CCC(c1ccncc1)NCC
• InChI: InChI=1S/C10H16N2/c1-3-10(12-4-2)9-5-7-11-8-6-9/h5-8,10,12H,3-4H2,1-2H3
• InChIKey: AMLONKVNYUAMSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[1-(pyridin-4-yl)propyl]amine
• IUPAC Traditional name: ethyl[1-(pyridin-4-yl)propyl]amine
• Synonyms: ethyl[1-(pyridin-4-yl)propyl]amine

Database IDs

• MDL Number: MFCD12154270
• PubChem SID: 164333876
• PubChem CID: 53534945

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5823772
• LogD (pH = 7.4): -0.60028934
• Log P: 1.6098276
• Molar Refractivity: 50.8405 cm^3
• Polarizability: 20.189114 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.38

Product Information

• Purity: 95%