N-(Adamantan-1-yl)-3-(1-methylpyrrolidin-1-ium-1-yl)propanimidate--hydrogen iodide (1/1)
Basic information
- CAS
25517-20-8- Standard SMILES
C[N+]1(CCC(=O)NC23CC4CC(CC(C4)C2)C3)CCCC1.[I-]- InChIKey
GMILMYSQLZVNBG-UHFFFAOYSA-N- Molecular formula
- C18H31IN2O
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.14811
Names & identifiers
- Preferred name
- N-(Adamantan-1-yl)-3-(1-methylpyrrolidin-1-ium-1-yl)propanimidate--hydrogen iodide (1/1)
- IUPAC
- N-(1-adamantyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propanamide iodide
Names & synonyms
25517-20-8DTXSID40948412N-(Adamantan-1-yl)-3-(1-methylpyrrolidin-1-ium-1-yl)propanimidate--hydrogen iodide (1/1)RefChem:1091389DTXCID701376643T 22531-(2-(1-Adamantylcarbamoyl)ethyl)-1-methylpyrrolidinium iodidePyrrolidinium, 1-(2-(1-adamantylcarbamoyl)ethyl)-1-methyl-, iodide
Database identifiers
- CAS
25517-20-8- PubChem CID
- 64229
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
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Related reactions
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Compound notes
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