4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C13H24F3NS — CID 116616682

IUPAC4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(CCSC(F)(F)F)C1
InChIInChI=1S/C13H24F3NS/c1-12(2,3)10-4-5-11(17)9(8-10)6-7-18-13(14,15)16/h9-11H,4-8,17H2,1-3H3
InChIKeySLTGAEQAVOKRMK-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.42
Rot. Bonds3

About 4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 116616682) has the molecular formula C13H24F3NS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID116616682
Molecular FormulaC13H24F3NS
Molecular Weight283.40 g/mol
Exact Mass283.16
IUPAC Name4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(CCSC(F)(F)F)C1
InChIInChI=1S/C13H24F3NS/c1-12(2,3)10-4-5-11(17)9(8-10)6-7-18-13(14,15)16/h9-11H,4-8,17H2,1-3H3
InChIKeySLTGAEQAVOKRMK-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(Aminomethylsulfanyl)cyclohexyl]-4,4,4-trifluorobutan-2-amine
CID 129095722
2-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106426885
4-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106427051
4-(2-methylbutan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106427209
2,4,4-trimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106427242
N-ethyl-4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544022
4-ethyl-N-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544023
N,4-diethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544024
4-Propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544025
N-methyl-4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113544026
4-Tert-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113545402
[4-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545412

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 116616682) is 4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CC(C)(C)C1CCC(N)C(CCSC(F)(F)F)C1.
What is the InChIKey of 4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is SLTGAEQAVOKRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NS/c1-12(2,3)10-4-5-11(17)9(8-10)6-7-18-13(14,15)16/h9-11H,4-8,17H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 116616682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).