Basic information
- Standard SMILES
CCCCC(CC)C(=O)NCCCSc1ccncc1.Cl- InChIKey
HSMUEELWZUCXTD-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2OS
- Average molar mass
- 330.9 g/mol
Names & identifiers
- Preferred name
- 4-[3-(2-Ethylhexanoylamino)propylthio]pyridine hydrochloride
- IUPAC
- 2-ethyl-N-(3-pyridin-4-ylsulfanylpropyl)hexanamide;hydrochloride
Names & synonyms
SCHEMBL8966775HSMUEELWZUCXTD-UHFFFAOYSA-N4-[3-(2-ethylhexanoylamino)propyithio]pyridine hydrochloride4-[3-(2-ethylhexanoylamino)propylthio]pyridine hydrochloride
Database identifiers
- PubChem CID
- 19079191
Properties
Computed structural properties
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 255
Related reactions
5 records
Compound notes
Loading…