[2-(2-ethylpiperidin-1-yl)ethyl](propan-2-yl)amine

• ChemBase ID: 25132
• Molecular Formular: C12H26N2
• Molecular Mass: 198.34824
• Monoisotopic Mass: 198.20959884
• SMILES: N1(C(CC)CCCC1)CCNC(C)C
• Canonical SMILES: CCC1CCCCN1CCNC(C)C
• InChI: InChI=1S/C12H26N2/c1-4-12-7-5-6-9-14(12)10-8-13-11(2)3/h11-13H,4-10H2,1-3H3
• InChIKey: DFHGLJRVGDKWJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-ethylpiperidin-1-yl)ethyl](propan-2-yl)amine
• IUPAC Traditional name: [2-(2-ethylpiperidin-1-yl)ethyl](isopropyl)amine
• Synonyms: N-[2-(2-ethylpiperidin-1-yl)ethyl]propan-2-amine; N-[2-(2-Ethylpiperidin-1-yl)ethyl]-N-isopropylamine

Database IDs

• CAS Number: 933738-34-2
• MDL Number: MFCD09864409
• PubChem SID: 160988439
• PubChem CID: 45791139

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6964326
• LogD (pH = 7.4): -0.5551356
• Log P: 2.3886125
• Molar Refractivity: 62.9647 cm^3
• Polarizability: 25.197851 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false