[2-(3,5-dimethylpiperidin-1-yl)ethyl](ethyl)amine

• ChemBase ID: 25125
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(CC(CC(C1)C)C)CCNCC
• Canonical SMILES: CCNCCN1CC(C)CC(C1)C
• InChI: InChI=1S/C11H24N2/c1-4-12-5-6-13-8-10(2)7-11(3)9-13/h10-12H,4-9H2,1-3H3
• InChIKey: VQBUMRMEVNBSKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3,5-dimethylpiperidin-1-yl)ethyl](ethyl)amine
• IUPAC Traditional name: [2-(3,5-dimethylpiperidin-1-yl)ethyl](ethyl)amine
• Synonyms: N-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]-N-ethylamine

Database IDs

• MDL Number: MFCD09971863
• PubChem SID: 160988432
• PubChem CID: 46736067

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1867073
• LogD (pH = 7.4): -0.9042759
• Log P: 1.7628858
• Molar Refractivity: 58.5463 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false