octahydro-1H-quinolizine

• ChemBase ID: 129223
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: C1CCN2CCCCC2C1
• Canonical SMILES: C1CCC2N(C1)CCCC2
• InChI: InChI=1S/C9H17N/c1-3-7-10-8-4-2-6-9(10)5-1/h9H,1-8H2
• InChIKey: LJPZHJUSICYOIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydro-1H-quinolizine
• IUPAC Systematic name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
• IUPAC Traditional name: quinolizidine
• Synonyms: Norlupinane; quinolizidine; Quinolizidine

Database IDs

• CAS Number: 493-10-7
• PubChem SID: 162223520
• PubChem CID: 119036
• CHEBI ID: 46751
• Chemspider ID: 106363
• Wikipedia Title: Quinolizidine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.529043
• LogD (pH = 7.4): -0.8464799
• Log P: 1.9506688
• Molar Refractivity: 43.9423 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Safety Statements: R