diethyl({3-[(1-ethylpiperidin-4-yl)amino]propyl})amine

• ChemBase ID: 13584
• Molecular Formular: C14H31N3
• Molecular Mass: 241.41604
• Monoisotopic Mass: 241.25179801
• SMILES: C1N(CCC(C1)NCCCN(CC)CC)CC
• Canonical SMILES: CCN(CCCNC1CCN(CC1)CC)CC
• InChI: InChI=1S/C14H31N3/c1-4-16(5-2)11-7-10-15-14-8-12-17(6-3)13-9-14/h14-15H,4-13H2,1-3H3
• InChIKey: OEWCSBKCAYOACJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl({3-[(1-ethylpiperidin-4-yl)amino]propyl})amine
• IUPAC Traditional name: diethyl({3-[(1-ethylpiperidin-4-yl)amino]propyl})amine
• Synonyms: N,N-Diethyl-N'-(1-ethyl-piperidin-4-yl)-propane-1,3-diamine

Database IDs

• MDL Number: MFCD04035540
• PubChem SID: 160976891
• PubChem CID: 3154335

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.297686
• LogD (pH = 7.4): -3.9723377
• Log P: 0.98295575
• Molar Refractivity: 77.2748 cm^3
• Polarizability: 30.410118 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false