N-ethyl-octahydro-1H-quinolizin-1-amine

• ChemBase ID: 243557
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N12C(C(NCC)CCC1)CCCC2
• Canonical SMILES: CCNC1CCCN2C1CCCC2
• InChI: InChI=1S/C11H22N2/c1-2-12-10-6-5-9-13-8-4-3-7-11(10)13/h10-12H,2-9H2,1H3
• InChIKey: FQZDGDDBZHHSGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-octahydro-1H-quinolizin-1-amine
• IUPAC Traditional name: N-ethyl-octahydro-1H-quinolizin-1-amine
• Synonyms: N-ethyl-octahydro-1H-quinolizin-1-amine

Database IDs

• MDL Number: MFCD22578701
• PubChem SID: 164299467
• PubChem CID: 71757280

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3636882
• LogD (pH = 7.4): -1.4485754
• Log P: 1.5582718
• Molar Refractivity: 56.4845 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.852

Product Information

• Purity: 95%