[4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine

C12H22F3NS — CID 116627821

IUPAC[4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)(CCSC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NS/c1-2-10-3-5-11(9-16,6-4-10)7-8-17-12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyGFANUPFHFXUKPK-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.17
Rot. Bonds5

About [4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine

[4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (PubChem CID 116627821) has the molecular formula C12H22F3NS and a molecular weight of 269.38 g/mol. Its IUPAC name is [4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
PubChem CID116627821
Molecular FormulaC12H22F3NS
Molecular Weight269.38 g/mol
Exact Mass269.14
IUPAC Name[4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)(CCSC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NS/c1-2-10-3-5-11(9-16,6-4-10)7-8-17-12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyGFANUPFHFXUKPK-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106426854
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 113544162
[4-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545412
[4-Ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545469
[4-Propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545470
4-Tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616682
[4-Butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617688
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617689
2-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 116617691
[4-Tert-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617692
2-Ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617693
1-[4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]-N-methylmethanamine
CID 116617714

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (CID 116627821) is [4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is CCC1CCC(CN)(CCSC(F)(F)F)CC1.
What is the InChIKey of [4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The InChIKey is GFANUPFHFXUKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NS/c1-2-10-3-5-11(9-16,6-4-10)7-8-17-12(13,14)15/h10H,2-9,16H2,1H3.
What are the key properties of [4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
[4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine has a molecular weight of 269.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 116627821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).