Basic information
- Standard SMILES
CCCCCCCCc1ccc2c(c1)CCN2- InChIKey
NIWRBIINKFRDJW-UHFFFAOYSA-N- Molecular formula
- C16H25N
- Average molar mass
- 231.38 g/mol
Names & identifiers
- Preferred name
- 5-Octylindoline
- IUPAC
- 5-octyl-2,3-dihydro-1H-indole
Names & synonyms
5-Octylindoline1221257-25-55-n-OctylindolineSCHEMBL565857NIWRBIINKFRDJW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66726544
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
Related reactions
1 records
Compound notes
Loading…