Basic information
- CAS
68365-90-2- Standard SMILES
CCC[C@H]1CC[C@H]2[C@H](CCC)CCC[C@H]2N1- InChIKey
MPLWFJRXBSAKCA-CBBWQLFWSA-N- Molecular formula
- C15H29N
- Average molar mass
- 223.4 g/mol
- Monoisotopic mass
- 223.22999993
Overview
noncompetitive blocker for nicotinic acetylcholine receptor-channels in pheochromocytoma cells & Torpedo electroplax; RN given refers to (2S-(2alpha,4abeta,5beta,8abeta)-isomer;RN for cpd without isomeric designation not avail 6/92
Names & identifiers
- Preferred name
- 2,5-Dipropyldecahydroquinoline
- IUPAC
- (2S,4aS,5R,8aR)-2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
- English name
- 2,5-dipropyldecahydroquinoline
- Molecular formula
- C15H29N
- Molecular weight
- 223.4
Names & synonyms
2,5-Dipropyldecahydroquinoline68365-90-22,5-DpdhqDTXSID90987912RefChem:82998DTXCID201415062Perhydro-cis-decahydroquinoline 219A(2S,4aS,5R,8aR)-2,5-dipropyldecahydroquinoline(2S,4aS,5R,8aR)-2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolineQuinoline, decahydro-2,5-dipropyl-, (2S-(2alpha,4abeta,5beta,8abeta))-Quinoline, decahydro-2,5-dipropyl-, (2S,4aS,5R,8aR)-
Database identifiers
- CAS
68365-90-2- PubChem CID
- 129293
- DTXSID
DTXSID90987912
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 294.6 · 294.6±8.0 °C(Predicted)
- Density
- 0.85 · 0.850±0.06 g/cm3(Predicted)
- pka
- 10.93 · 10.93±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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