Basic information
- CAS
25517-05-9- Standard SMILES
CC[N+](C)(CC)CC(=O)NC12CC3CC(CC(C3)C1)C2.[I-]- InChIKey
KDLLLGASDBRTQL-UHFFFAOYSA-N- Molecular formula
- C17H31IN2O
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 406.14811
Names & identifiers
- Preferred name
- Ammonium, ((1-adamantylcarbamoyl)methyl)diethylmethyl-, iodide
- IUPAC
- [2-(1-adamantylamino)-2-oxoethyl]-diethyl-methylazanium iodide
Names & synonyms
((1-Adamantylcarbamoyl)methyl)diethylmethylammonium iodideT 2236Ammonium, ((1-adamantylcarbamoyl)methyl)diethylmethyl-, iodide25517-05-9RefChem:318609
Database identifiers
- CAS
25517-05-9- PubChem CID
- 64205
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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