1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-1,3-dihydro-2H-azepin-2-one

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Basic information

CAS: 1900-32-9
Standard SMILES: CCN(CC)CCN1C(=O)C(C)C=C(C)C=C1C
InChIKey: YHGBLDSNMDEQDX-UHFFFAOYSA-N
Molecular formula: C15H26N2O
Average molar mass: 250.38 g/mol
Monoisotopic mass: 250.20451346

Names & identifiers

Preferred name: 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-1,3-dihydro-2H-azepin-2-one
IUPAC: 1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one
English name: 2H-Azepin-2-one,1-[2-(diethylamino)ethyl]-1,3-dihydro-3,5,7-trimethyl-
Molecular formula: C15H26N2O
Molecular weight: 250.37974

Names & synonyms

1900-32-91-[2-(diethylamino)ethyl]-3,5,7-trimethyl-1,3-dihydro-2H-azepin-2-oneNSC135361DTXSID00274562AKOS024321401NSC-1353612H-Azepin-2-one,1-[2-(diethylamino)ethyl]-1,3-dihydro-3,5,7-trimethyl-

Database identifiers

CAS: 1900-32-9
PubChem CID: 15916
DTXSID: DTXSID00274562
Nikkaji: J388.231D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 354

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