N,N,N-Trimethyl-3-octadecanamidopropan-1-aminium
Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C- InChIKey
QSFBUDDTFXACIS-UHFFFAOYSA-O- Molecular formula
- C24H51N2O+
- Average molar mass
- 383.7 g/mol
- Monoisotopic mass
- 383.40013926
Names & identifiers
- Preferred name
- N,N,N-Trimethyl-3-octadecanamidopropan-1-aminium
- IUPAC
- trimethyl-[3-(octadecanoylamino)propyl]azanium
Names & synonyms
SCHEMBL898974CHEMBL3040987DTXSID70860234NS00014114N,N,N-Trimethyl-3-octadecanamidopropan-1-aminiumAmidopropyl alkyl trimethylammonium compound C18 (apATMAC C18)
Database identifiers
- PubChem CID
- 87996
- DTXSID
DTXSID70860234- ChEMBL
CHEMBL3040987- Nikkaji
- J257.428D
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 20
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 323
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Compound notes
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