Basic information
- Standard SMILES
c1ccc(CNCCCSc2ccncc2)cc1- InChIKey
AISJRBLVRHHWSG-UHFFFAOYSA-N- Molecular formula
- C15H18N2S
- Average molar mass
- 258.4 g/mol
Names & identifiers
- Preferred name
- 4-[3-(N-benzylamino)propylthio)pyridine
- IUPAC
- N-benzyl-3-pyridin-4-ylsulfanylpropan-1-amine
Names & synonyms
4-[3-(N-benzylamino)propylthio)pyridine4-[3-(N-benzylamino)propylthio]pyridineSCHEMBL8642120AISJRBLVRHHWSG-UHFFFAOYSA-N4-[3-(N-benzylamino)propylthio)-pyridine
Database identifiers
- PubChem CID
- 19079190
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 199
Related reactions
16 records
Compound notes
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