3-[(Dicyclohexylamino)methyl]-8-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Basic information
- CAS
76423-59-1- Standard SMILES
CC1CC2(CC(CN(C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1- InChIKey
NEYOBFYBCKOYGK-UHFFFAOYSA-N- Molecular formula
- C21H33NO4
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.24095853
Names & identifiers
- Preferred name
- 3-[(Dicyclohexylamino)methyl]-8-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
- IUPAC
- 3-[(dicyclohexylamino)methyl]-8-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Names & synonyms
MLS00317107776423-59-1NSC350491CHEMBL2358462DTXSID003197803-[(dicyclohexylamino)methyl]-8-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dioneNSC-350491SMR001874986
Database identifiers
- CAS
76423-59-1- PubChem CID
- 336394
- DTXSID
DTXSID00319780- ChEMBL
CHEMBL2358462
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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