3-Butyl-5-propyloctahydroindolizine
Basic information
- CAS
67217-85-0- Standard SMILES
CCCC[C@@H]1CC[C@H]2CCC[C@@H](CCC)N12- InChIKey
ONNRIWKYSUKBOB-RBSFLKMASA-N- Molecular formula
- C15H29N
- Average molar mass
- 223.4 g/mol
- Monoisotopic mass
- 223.22999993
Names & identifiers
- Preferred name
- 3-Butyl-5-propyloctahydroindolizine
- IUPAC
- (3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
- English name
- indolizidine 223AB
- Molecular formula
- C15H29N
- Molecular weight
- 223.4
Names & synonyms
3-Butyl-5-propyloctahydroindolizine67217-85-0Indolizine, 3-butyloctahydro-5-propyl-, (3R-(3alpha,5beta,8aalpha))-(3R,5R,8aR)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizineDTXSID90986324ONNRIWKYSUKBOB-RBSFLKMASA-N(3R,5R,8aR)-3-Butyl-5-propyloctahydroindolizine(-)-223ABindolizidine 223AB(-)-Gephyrotoxin 223AB(8aβ)-Octahydro-3β-butyl-5α-propylindolizine(3R,8aβ)-3-Butyloctahydro-5α-propylindolizine
Show more names
[8aβ,(-)]-5α-Propyl-3β-butyloctahydroindolizineIndolizine, 3-butyloctahydro-5-propyl-, (3R,5R,8aR)-
Database identifiers
- CAS
67217-85-0- PubChem CID
- 3085358
- DTXSID
DTXSID90986324- Nikkaji
- J332.216E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 271.6 · 271.6±8.0 °C(Predicted)
- Density
- 0.9 · 0.90±0.1 g/cm3(Predicted)
- pka
- 10.7 · 10.70±0.60(Predicted)
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Compound notes
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