N-butyl-1-ethylpiperidin-4-amine

• ChemBase ID: 34995
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(CCC(CC1)NCCCC)CC
• Canonical SMILES: CCCCNC1CCN(CC1)CC
• InChI: InChI=1S/C11H24N2/c1-3-5-8-12-11-6-9-13(4-2)10-7-11/h11-12H,3-10H2,1-2H3
• InChIKey: LNDZHXVMNROPGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-1-ethylpiperidin-4-amine
• IUPAC Traditional name: N-butyl-1-ethylpiperidin-4-amine
• Synonyms: N-Butyl-1-ethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD11142441
• PubChem SID: 160998302
• PubChem CID: 18726850

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9268076
• LogD (pH = 7.4): -2.0041327
• Log P: 1.5146346
• Molar Refractivity: 58.7667 cm^3
• Polarizability: 23.35114 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