Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1CC2(CN)CCC1(C#N)CC2- InChIKey
SISYKEAFCHPYKS-UHFFFAOYSA-N- Molecular formula
- C15H24N2O2
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.18377801
Names & identifiers
- Preferred name
- Boc4-aminomethylbicyclo-[2.2.2]octane nitrile
- IUPAC
- tert-butyl 4-(aminomethyl)-1-cyanobicyclo[2.2.2]octane-2-carboxylate
Names & synonyms
SCHEMBL6802983SISYKEAFCHPYKS-UHFFFAOYSA-NBoc4-aminomethylbicyclo-[2.2.2]octane nitrileBoc-4-aminomethylbicyclo-[2.2.2]octane nitrile
Database identifiers
- PubChem CID
- 69900746
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 419
Related reactions
2 records
Compound notes
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