Basic information
- Standard SMILES
CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCc2cccc(-n3cccc3)c2)c1- InChIKey
IMCOCFLKUYSKOA-SOFGYWHQSA-N- Molecular formula
- C29H34N2O
- Average molar mass
- 426.6 g/mol
Names & identifiers
- Preferred name
- (E)-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-ethyl-3-[3-(1-pyrrolyl)benzyloxy)benzylamine
- IUPAC
- (E)-N-ethyl-6,6-dimethyl-N-[[3-[(3-pyrrol-1-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
Names & synonyms
SCHEMBL9454693IMCOCFLKUYSKOA-SOFGYWHQSA-N(E)-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-ethyl-3-[3-(1-pyrrolyl)benzyloxy)benzylamine
Database identifiers
- PubChem CID
- 19744667
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 17.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 631
Related reactions
1 records
Compound notes
Loading…