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

C11H20F3NS — CID 116627819

IUPAC[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(CCSC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NS/c1-9-2-4-10(8-15,5-3-9)6-7-16-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyKAYKKALLWBVOTR-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.78
Rot. Bonds4

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

[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (PubChem CID 116627819) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
PubChem CID116627819
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(CCSC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NS/c1-9-2-4-10(8-15,5-3-9)6-7-16-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyKAYKKALLWBVOTR-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.78
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-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (CID 116627819) is [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is CC1CCC(CN)(CCSC(F)(F)F)CC1.
What is the InChIKey of [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The InChIKey is KAYKKALLWBVOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-9-2-4-10(8-15,5-3-9)6-7-16-11(12,13)14/h9H,2-8,15H2,1H3.
What are the key properties of [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine has a molecular weight of 255.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 116627819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).