1-Adamantaneacetamide, N-(2-(dimethylamino)ethyl)-, ethyl iodide

HCID 64378

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Basic information

CAS: 54099-13-7
Standard SMILES: CCI.CN(C)CCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIKey: PGOKHCGKMLHFFS-UHFFFAOYSA-N
Molecular formula: C18H33IN2O
Average molar mass: 420.4 g/mol
Monoisotopic mass: 420.16376

Names & identifiers

Preferred name: 1-Adamantaneacetamide, N-(2-(dimethylamino)ethyl)-, ethyl iodide
IUPAC: 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]acetamide;iodoethane

Names & synonyms

N-(2-(Dimethylamino)ethyl)-1-adamantaneacetamide ethyl iodide54099-13-71-Adamantaneacetamide, N-(2-(dimethylamino)ethyl)-, ethyl iodideDTXSID30202434RefChem:227373DTXCID301249252-(Adamantan-1-yl)-N-[2-(dimethylamino)ethyl]acetamide--iodoethane (1/1)

Database identifiers

CAS: 54099-13-7
PubChem CID: 64378
DTXSID: DTXSID30202434

Properties

Computed structural properties

Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 312

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