Basic information
- Standard SMILES
CC1CC2(CCC1=NCc1ccccc1)OCCO2- InChIKey
RGTSVDMLYHEFIK-UHFFFAOYSA-N- Molecular formula
- C16H21NO2
- Average molar mass
- 259.34 g/mol
- Monoisotopic mass
- 259.15722891
Names & identifiers
- Preferred name
- N-(7-methyl-1,4-dioxaspiro[4.5]dec-8-ylidene)-1-phenylmethanamine
- IUPAC
- N-benzyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-imine
Names & synonyms
SCHEMBL2790817SCHEMBL2790819RGTSVDMLYHEFIK-UHFFFAOYSA-NN-(7-methyl-1,4-dioxaspiro[4.5]dec-8-ylidene)-1-phenylmethanamine
Database identifiers
- PubChem CID
- 67536022
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Related reactions
4 records
Compound notes
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