(E)-N-ethyl-N-(6,6-dimethyl-4-hepten-2-ynyl)-2-[2-[3-(3-thienyl)phenoxy]ethoxy]ethylamine

HCID 19916967
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Basic information

Standard SMILES
CCN(CC#C/C=C/C(C)(C)C)CCOCCOc1cccc(-c2ccsc2)c1
InChIKey
NDYREGOIJBWUOC-NTUHNPAUSA-N
Molecular formula
C25H33NO2S
Average molar mass
411.6 g/mol

Names & identifiers

Preferred name
(E)-N-ethyl-N-(6,6-dimethyl-4-hepten-2-ynyl)-2-[2-[3-(3-thienyl)phenoxy]ethoxy]ethylamine
IUPAC
(E)-N-ethyl-6,6-dimethyl-N-[2-[2-(3-thiophen-3-ylphenoxy)ethoxy]ethyl]hept-4-en-2-yn-1-amine

Names & synonyms

SCHEMBL9261000NDYREGOIJBWUOC-NTUHNPAUSA-N(E)-N-ethyl-N-(6,6-dimethyl-4-hepten-2-ynyl)-2-[2-[3-(3-thienyl)phenoxy]ethoxy]ethylamine

Database identifiers

PubChem CID
19916967

Properties

Computed structural properties

XLogP
6
Topological polar surface area
49.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
29

Related reactions

1 records
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Compound notes

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