1-(2-Ethoxy-2-phenyl-N-propylacetimidoyl)hexahydro-1H-azepine

HCID 47147

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Basic information

CAS: 64058-22-6
Standard SMILES: CCCN=C(C(OCC)c1ccccc1)N1CCCCCC1
InChIKey: BAZJSTYFKLUZCJ-UHFFFAOYSA-N
Molecular formula: C19H30N2O
Average molar mass: 302.5 g/mol
Monoisotopic mass: 302.23581359

Names & identifiers

Preferred name: 1-(2-Ethoxy-2-phenyl-N-propylacetimidoyl)hexahydro-1H-azepine
IUPAC: 1-(azepan-1-yl)-2-ethoxy-2-phenyl-N-propylethanimine
English name: Hexahydro-1-[2-ethoxy-2-phenyl-1-(propylimino)ethyl]-1H-azepine
Molecular formula: C19H30N2O
Molecular weight: 302.45

Names & synonyms

64058-22-61-(2-Ethoxy-2-phenyl-N-propylacetimidoyl)hexahydro-1H-azepineBRN 13889981-(2-Ethoxy-2-phenyl-N-propylacetimidoyl)hexamethyleneimine1H-AZEPINE, HEXAHYDRO-1-(2-ETHOXY-2-PHENYL-N-PROPYLACETIMIDOYL)-DTXSID301031671Hexahydro-1-[2-ethoxy-2-phenyl-1-(propylimino)ethyl]-1H-azepineDB-3196361-Propanamine, N-[2-ethoxy-1-(hexahydro-1H-azepin-1-yl)-2-phenylethylidene]-

Database identifiers

CAS: 64058-22-6
PubChem CID: 47147
DTXSID: DTXSID301031671
Nikkaji: J84.637F

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 24.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 315

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