Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC2CC(CN(CC=CCOc3ccc(C#N)cc3)C2)C1- InChIKey
AYVSUEQYIKIJPB-UHFFFAOYSA-N- Molecular formula
- C23H31N3O3
- Average molar mass
- 397.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 7-[4-(4-cyanophenoxy)-2-butenyl]-3,7-diazabicyclo[3.3.1]-nonane-3-carboxylate
- IUPAC
- tert-butyl 7-[4-(4-cyanophenoxy)but-2-enyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Names & synonyms
AYVSUEQYIKIJPB-UHFFFAOYSA-Ntert-Butyl 7-[4-(4-cyanophenoxy)-2-butenyl]-3,7-diazabicyclo[3.3.1]-nonane-3-carboxylate
Database identifiers
- PubChem CID
- 53669367
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 611
Related reactions
1 records
Compound notes
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