Basic information
- CAS
24480-51-1- Standard SMILES
CCN(CC)CCSC1CC2CC(C1C)C2(C)C- InChIKey
QHOMIBNISWZGQH-UHFFFAOYSA-N- Molecular formula
- C16H31NS
- Average molar mass
- 269.5 g/mol
- Monoisotopic mass
- 269.21772117
Names & identifiers
- Preferred name
- N,N-diethyl-2-[(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)sulfanyl]ethanamine
- IUPAC
- N,N-diethyl-2-[(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)sulfanyl]ethanamine
Names & synonyms
24480-51-1NSC358966N,N-diethyl-2-[(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)sulfanyl]ethanamineDTXSID50320402NSC-358966N,N-Diethyl-2-[(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)sulfanyl]ethan-1-amine
Database identifiers
- CAS
24480-51-1- PubChem CID
- 338091
- DTXSID
DTXSID50320402
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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