N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine

C16H32N2S — CID 106445254

IUPACN-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
SMILESCCNC(C1CCCCC1CC)C1CSCCN1C
InChIInChI=1S/C16H32N2S/c1-4-13-8-6-7-9-14(13)16(17-5-2)15-12-19-11-10-18(15)3/h13-17H,4-12H2,1-3H3
InChIKeyQNGUYCXOQTVRKJ-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.23
Rot. Bonds5

About N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine

N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine (PubChem CID 106445254) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
PubChem CID106445254
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC NameN-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
SMILESCCNC(C1CCCCC1CC)C1CSCCN1C
InChIInChI=1S/C16H32N2S/c1-4-13-8-6-7-9-14(13)16(17-5-2)15-12-19-11-10-18(15)3/h13-17H,4-12H2,1-3H3
InChIKeyQNGUYCXOQTVRKJ-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine with MolForge

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Related Compounds

[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106446318
N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445322
N-[(2-ethylcyclohexyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 115387131
N-[(2-ethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093457
N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
CID 106445158
N-[(4-methylthiomorpholin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106445285
N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106445339
2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595741
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106444980
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445245
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445193
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methyl]ethanamine
CID 79096035

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine (CID 106445254) is N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine is CCNC(C1CCCCC1CC)C1CSCCN1C.
What is the InChIKey of N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
The InChIKey is QNGUYCXOQTVRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-4-13-8-6-7-9-14(13)16(17-5-2)15-12-19-11-10-18(15)3/h13-17H,4-12H2,1-3H3.
What are the key properties of N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine has a molecular weight of 284.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine is sourced from PubChem (CID 106445254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).