Basic information
- CAS
15518-72-6- Standard SMILES
CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1- InChIKey
GDMZQNKKYVYOBJ-UHFFFAOYSA-N- Molecular formula
- C20H38NO2+
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.29025446
Names & identifiers
- Preferred name
- Dipenine
- IUPAC
- 2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium
Names & synonyms
DipenineDiponium cationDiponium ionDiponium [WHO-DD]15518-72-6UNII-NEJ1158278NEJ1158278Triethyl(2-hydroxyethyl)ammonium dicyclopentylacetateEthanaminium, 2-((2,2-dicyclopentylacetyl)oxy)-N,N,N-triethyl-Dipenine Free BaseNCGC00183852-012-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium
Show more names
CHEMBL2110827SCHEMBL29385249DTXSID20165847Q272848302-[(Dicyclopentylacetyl)oxy]-N,N,N-triethylethan-1-aminium
Database identifiers
- CAS
15518-72-6- PubChem CID
- 71810
- DTXSID
DTXSID20165847- ChEMBL
CHEMBL2110827- UNII
- NEJ1158278
- Nikkaji
- J215.761F
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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