2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine

C12H24F3NS — CID 116617736

IUPAC2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCSC(F)(F)F)CNC
InChIInChI=1S/C12H24F3NS/c1-4-6-7-11(5-2,10-16-3)8-9-17-12(13,14)15/h16H,4-10H2,1-3H3
InChIKeyUHZSGNMPWIJANM-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.44
Rot. Bonds9

About 2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine

2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine (PubChem CID 116617736) has the molecular formula C12H24F3NS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
PubChem CID116617736
Molecular FormulaC12H24F3NS
Molecular Weight271.39 g/mol
Exact Mass271.16
IUPAC Name2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCSC(F)(F)F)CNC
InChIInChI=1S/C12H24F3NS/c1-4-6-7-11(5-2,10-16-3)8-9-17-12(13,14)15/h16H,4-10H2,1-3H3
InChIKeyUHZSGNMPWIJANM-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-methyl-3-(thian-3-yl)propan-1-amine
CID 105463411
2,2-difluoro-N-methyl-3-(thian-3-yl)propan-1-amine
CID 105463413
2,2-difluoro-N-methyl-3-(thian-4-yl)propan-1-amine
CID 105463414
N-[(1-methylcyclohexyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105653759
N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105695397
N-[(1-ethylcyclobutyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105754056
2,2,2-trifluoro-N-[(1-methylsulfanylcyclopentyl)methyl]ethanamine
CID 105819857
2,2,2-trifluoro-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine
CID 105820708
2,2-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine
CID 105820720
4,4,4-trifluoro-N-[(1-methylsulfanylcyclohexyl)methyl]butan-1-amine
CID 105820889
3,3,3-trifluoro-N-[(1-methylsulfanylcyclohexyl)methyl]propan-1-amine
CID 105820893
N-[(1-ethylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105891682

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine (CID 116617736) is 2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine is CCCCC(CC)(CCSC(F)(F)F)CNC.
What is the InChIKey of 2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The InChIKey is UHZSGNMPWIJANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NS/c1-4-6-7-11(5-2,10-16-3)8-9-17-12(13,14)15/h16H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine is sourced from PubChem (CID 116617736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).