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

C11H21F3N2S — CID 116616956

IUPAC2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCN(CCSC(F)(F)F)C1CCCCC1CN
InChIInChI=1S/C11H21F3N2S/c1-16(6-7-17-11(12,13)14)10-5-3-2-4-9(10)8-15/h9-10H,2-8,15H2,1H3
InChIKeyLIJLQLQEUMPQPY-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.69
Rot. Bonds5

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

2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 116616956) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID116616956
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC Name2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCN(CCSC(F)(F)F)C1CCCCC1CN
InChIInChI=1S/C11H21F3N2S/c1-16(6-7-17-11(12,13)14)10-5-3-2-4-9(10)8-15/h9-10H,2-8,15H2,1H3
InChIKeyLIJLQLQEUMPQPY-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
4,4,4-trifluoro-3-N-methyl-3-N-(2-methylcyclohexyl)butane-1,3-diamine
CID 55004961
2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 55011446
2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 55011690
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 55093926
N-ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 55093973
2-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 55093975
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 60890976
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 61602856

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 116616956) is 2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CN(CCSC(F)(F)F)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is LIJLQLQEUMPQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-16(6-7-17-11(12,13)14)10-5-3-2-4-9(10)8-15/h9-10H,2-8,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 270.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 116616956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).