6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine

C12H23F3N2S — CID 116535318

IUPAC6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine
SMILESCC1CSCCN1C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2S/c1-10-8-18-7-6-17(10)11(2,9-16)4-3-5-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyYRVLVTHIKHPVJU-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.87
Rot. Bonds5

About 6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine

6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine (PubChem CID 116535318) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine
PubChem CID116535318
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC Name6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine
SMILESCC1CSCCN1C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2S/c1-10-8-18-7-6-17(10)11(2,9-16)4-3-5-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyYRVLVTHIKHPVJU-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 43173289
[4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-4-yl]methanamine
CID 54981886
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 62870955
1,1,1-Trifluoro-2-(3-methylthiomorpholin-4-yl)pentan-3-amine
CID 64039717
2-(2,6-Dimethylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine
CID 64114890
[1-(3-Methylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755507
[1-(2,6-Dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755693
[1-(3-Methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757611
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 65376561
[5-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 79949744

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine (CID 116535318) is 6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine is CC1CSCCN1C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine?
The InChIKey is YRVLVTHIKHPVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-10-8-18-7-6-17(10)11(2,9-16)4-3-5-12(13,14)15/h10H,3-9,16H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine?
6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine has a molecular weight of 284.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine is sourced from PubChem (CID 116535318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).