[1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine

C17H34N2S — CID 115999117

IUPAC[1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
SMILESCC1CN(C2(CN)CC(C)(C)CC(C)(C)C2)CC(C)S1
InChIInChI=1S/C17H34N2S/c1-13-7-19(8-14(2)20-13)17(12-18)10-15(3,4)9-16(5,6)11-17/h13-14H,7-12,18H2,1-6H3
InChIKeyGSEHPZBUVDGAQA-UHFFFAOYSA-N
MW298.54 g/mol
LogP3.75
Rot. Bonds2

About [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine

[1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine (PubChem CID 115999117) has the molecular formula C17H34N2S and a molecular weight of 298.54 g/mol. Its IUPAC name is [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
PubChem CID115999117
Molecular FormulaC17H34N2S
Molecular Weight298.54 g/mol
Exact Mass298.24
IUPAC Name[1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
SMILESCC1CN(C2(CN)CC(C)(C)CC(C)(C)C2)CC(C)S1
InChIInChI=1S/C17H34N2S/c1-13-7-19(8-14(2)20-13)17(12-18)10-15(3,4)9-16(5,6)11-17/h13-14H,7-12,18H2,1-6H3
InChIKeyGSEHPZBUVDGAQA-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine with MolForge

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Related Compounds

[3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81467595
[3,3,5,5-tetramethyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 112682303
[3,3,5,5-tetramethyl-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 115999082
1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 115999034
[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 112682338
[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
CID 115999067
[3,3-dimethyl-1-(3-methylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 80705878
[1-(4,4-dimethylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500940
[1-(2,6-dimethylthiomorpholin-4-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65044750
[3,3-dimethyl-1-(3-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705682
[1-(3,5-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661002
[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine
CID 79958109

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine?
The IUPAC name of [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine (CID 115999117) is [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine is CC1CN(C2(CN)CC(C)(C)CC(C)(C)C2)CC(C)S1.
What is the InChIKey of [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine?
The InChIKey is GSEHPZBUVDGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2S/c1-13-7-19(8-14(2)20-13)17(12-18)10-15(3,4)9-16(5,6)11-17/h13-14H,7-12,18H2,1-6H3.
What are the key properties of [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine?
[1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine has a molecular weight of 298.54 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylthiomorpholin-4-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine is sourced from PubChem (CID 115999117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).