2-(4-ethylpiperidin-1-yl)ethan-1-amine

• ChemBase ID: 307386
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCC(CC1)CC)CCN
• Canonical SMILES: NCCN1CCC(CC1)CC
• InChI: InChI=1S/C9H20N2/c1-2-9-3-6-11(7-4-9)8-5-10/h9H,2-8,10H2,1H3
• InChIKey: IUURUDXVDZPRHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylpiperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-ethylpiperidin-1-yl)ethanamine
• Synonyms: 2-(4-ethylpiperidin-1-yl)ethanamine

Database IDs

• CAS Number: 1177306-60-3
• MDL Number: MFCD09864337

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7848964
• LogD (pH = 7.4): -1.4870185
• Log P: 0.97513956
• Molar Refractivity: 49.2295 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2