octahydroindolizine

• ChemBase ID: 127824
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: N12CCCC1CCCC2
• Canonical SMILES: C1CCC2N(C1)CCC2
• InChI: InChI=1S/C8H15N/c1-2-6-9-7-3-5-8(9)4-1/h8H,1-7H2
• InChIKey: HAJKHJOABGFIGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydroindolizine
• IUPAC Traditional name: octahydroindolizine
• Synonyms: δ-Coniceine; 1-Azabicyclo[4.3.0]nonane; Indolizidine

Database IDs

• CAS Number: 13618-93-4
• PubChem SID: 162222142
• PubChem CID: 26136
• Chemspider ID: 24347
• Wikipedia Title: Indolizidine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.9932929
• LogD (pH = 7.4): -1.8596324
• Log P: 1.5061002
• Molar Refractivity: 39.3413 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 159-160 °C
• Density: 0.8956 g/cm^3 (20 °C)