[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine

C12H22F3NS — CID 116628135

IUPAC[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)C(CCSC(F)(F)F)C1
InChIInChI=1S/C12H22F3NS/c1-11(2)5-3-10(8-16)9(7-11)4-6-17-12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeyJYQICOMFYUYQBX-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.03
Rot. Bonds4

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

[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (PubChem CID 116628135) has the molecular formula C12H22F3NS and a molecular weight of 269.38 g/mol. Its IUPAC name is [4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
PubChem CID116628135
Molecular FormulaC12H22F3NS
Molecular Weight269.38 g/mol
Exact Mass269.14
IUPAC Name[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)C(CCSC(F)(F)F)C1
InChIInChI=1S/C12H22F3NS/c1-11(2)5-3-10(8-16)9(7-11)4-6-17-12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeyJYQICOMFYUYQBX-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,6S)-2-fluoro-4-methylsulfanyl-6-propan-2-ylcyclohexyl]methanamine
CID 163840672
N-[(4-tert-butylcyclohexyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106426854
4-Tert-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 113545402
[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
N-[[4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]ethanamine
CID 113545478
4-Tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616682
4-Propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616692
[4-Butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617688
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617689
[4-Tert-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617692

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (CID 116628135) is [4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is CC1(C)CCC(CN)C(CCSC(F)(F)F)C1.
What is the InChIKey of [4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The InChIKey is JYQICOMFYUYQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NS/c1-11(2)5-3-10(8-16)9(7-11)4-6-17-12(13,14)15/h9-10H,3-8,16H2,1-2H3.
What are the key properties of [4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine has a molecular weight of 269.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 116628135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).