Basic information
- Standard SMILES
CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCC/C=C/c2ccsc2)c1- InChIKey
OPWMFSXLGFFGEO-QBXHZEQXSA-N- Molecular formula
- C26H33NOS
- Average molar mass
- 407.6 g/mol
Names & identifiers
- Preferred name
- (E,E)-N-ethyl-N-(6,6-dimethyl-2-hepten-4-ynyl)-3-[4-(3-thienyl)-3-butenyloxy]benzylamine
- IUPAC
- (E)-N-ethyl-6,6-dimethyl-N-[[3-[(E)-4-thiophen-3-ylbut-3-enoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
Names & synonyms
SCHEMBL9260908OPWMFSXLGFFGEO-QBXHZEQXSA-N(E,E)-N-ethyl-N-(6,6-dimethyl-2-hepten-4-ynyl)-3-[4-(3-thienyl)-3-butenyloxy]benzylamine
Database identifiers
- PubChem CID
- 19917035
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
1 records
Compound notes
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