N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

C10H16F3NS — CID 115584877

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SCCNCC1CC=CCC1
InChIInChI=1S/C10H16F3NS/c11-10(12,13)15-7-6-14-8-9-4-2-1-3-5-9/h1-2,9,14H,3-8H2
InChIKeyLUCRMXCBIMRGOH-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.19
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 115584877) has the molecular formula C10H16F3NS and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID115584877
Molecular FormulaC10H16F3NS
Molecular Weight239.31 g/mol
Exact Mass239.10
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SCCNCC1CC=CCC1
InChIInChI=1S/C10H16F3NS/c11-10(12,13)15-7-6-14-8-9-4-2-1-3-5-9/h1-2,9,14H,3-8H2
InChIKeyLUCRMXCBIMRGOH-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroethanamine
CID 43180485
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroethanamine
CID 61949206
N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 63226203
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 103745190
2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106174177
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427251
N-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-amine
CID 106429467
N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115486704
N-(cyclohex-3-en-1-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 115491499
2-(cyclohexen-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 116615526
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylethanamine
CID 60663567
N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfanylpropan-1-amine
CID 61948786

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (CID 115584877) is N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is FC(F)(F)SCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is LUCRMXCBIMRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NS/c11-10(12,13)15-7-6-14-8-9-4-2-1-3-5-9/h1-2,9,14H,3-8H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 115584877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).