N,N-Diethyl-2-{[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]sulfanyl}ethan-1-amine
Basic information
- CAS
24480-50-0- Standard SMILES
C=C(C)C1CC=C(C)C(SCCN(CC)CC)C1- InChIKey
LRFXVKOLEMCMAZ-UHFFFAOYSA-N- Molecular formula
- C16H29NS
- Average molar mass
- 267.5 g/mol
- Monoisotopic mass
- 267.2020711
Names & identifiers
- Preferred name
- N,N-Diethyl-2-{[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]sulfanyl}ethan-1-amine
- IUPAC
- N,N-diethyl-2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)sulfanylethanamine
Names & synonyms
24480-50-0NSC358963DTXSID90320401NSC-358963N,N-Diethyl-2-{[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]sulfanyl}ethan-1-amine
Database identifiers
- CAS
24480-50-0- PubChem CID
- 338090
- DTXSID
DTXSID90320401
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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