Basic information
- CAS
25517-10-6- Standard SMILES
C[N+]1(CC(=O)NC23CC4CC(CC(C4)C2)C3)CCCC1.[I-]- InChIKey
MJKCLHKBXSUGFY-UHFFFAOYSA-N- Molecular formula
- C17H29IN2O
- Average molar mass
- 404.3 g/mol
- Monoisotopic mass
- 404.13246
Names & identifiers
- Preferred name
- N-(Adamantan-1-yl)-2-(1-methylpyrrolidin-1-ium-1-yl)ethanimidate--hydrogen iodide (1/1)
- IUPAC
- N-(1-adamantyl)-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide iodide
Names & synonyms
25517-10-6DTXSID90948407N-(Adamantan-1-yl)-2-(1-methylpyrrolidin-1-ium-1-yl)ethanimidate--hydrogen iodide (1/1)RefChem:1091386DTXCID601376638T 22401-((1-Adamantylcarbamoyl)methyl)-1-methylpyrrolidinium iodidePyrrolidinium, 1-((1-adamantylcarbamoyl)methyl)-1-methyl-, iodide
Database identifiers
- CAS
25517-10-6- PubChem CID
- 64213
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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