Basic information
- CAS
25517-16-2- Standard SMILES
CC[N+](C)(CC)CCC(=O)NC12CC3CC(CC(C3)C1)C2.[I-]- InChIKey
BQVKGJVMSZLBTO-UHFFFAOYSA-N- Molecular formula
- C18H33IN2O
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.16376
Names & identifiers
- Preferred name
- Ammonium, (2-(1-adamantylcarbamoyl)ethyl)diethylmethyl-, iodide
- IUPAC
- [3-(1-adamantylamino)-3-oxopropyl]-diethyl-methylazanium iodide
Names & synonyms
(2-(1-Adamantylcarbamoyl)ethyl)diethylmethylammonium iodideT 224925517-16-2Ammonium, (2-(1-adamantylcarbamoyl)ethyl)diethylmethyl-, iodideRefChem:318711
Database identifiers
- CAS
25517-16-2- PubChem CID
- 64223
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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