[1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine

C15H30N2S — CID 106663272

IUPAC[1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCCC1CN(C2(CN)CC(C)(C)CC2C)CCS1
InChIInChI=1S/C15H30N2S/c1-5-13-9-17(6-7-18-13)15(11-16)10-14(3,4)8-12(15)2/h12-13H,5-11,16H2,1-4H3
InChIKeyFKQRMYPEAJXIQD-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.97
Rot. Bonds3

About [1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine

[1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine (PubChem CID 106663272) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is [1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
PubChem CID106663272
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name[1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCCC1CN(C2(CN)CC(C)(C)CC2C)CCS1
InChIInChI=1S/C15H30N2S/c1-5-13-9-17(6-7-18-13)15(11-16)10-14(3,4)8-12(15)2/h12-13H,5-11,16H2,1-4H3
InChIKeyFKQRMYPEAJXIQD-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine
CID 106663212
[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663296
[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663047
[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663109
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663173
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106662947
[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81320901
[1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81321625
[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine
CID 106663210
[1-(2,5-dimethylmorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106662992
[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663129
(1,2,4,4-tetramethylcyclopentyl)methanamine
CID 131550173

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The IUPAC name of [1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine (CID 106663272) is [1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The canonical SMILES for [1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine is CCC1CN(C2(CN)CC(C)(C)CC2C)CCS1.
What is the InChIKey of [1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The InChIKey is FKQRMYPEAJXIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-5-13-9-17(6-7-18-13)15(11-16)10-14(3,4)8-12(15)2/h12-13H,5-11,16H2,1-4H3.
What are the key properties of [1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine?
[1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine has a molecular weight of 270.49 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine is sourced from PubChem (CID 106663272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).