(3S)-3-ethyl-4-methylmorpholine

C7H15NO — CID 130351596

IUPAC(3S)-3-ethyl-4-methylmorpholine
SMILESCC[C@H]1COCCN1C
InChIInChI=1S/C7H15NO/c1-3-7-6-9-5-4-8(7)2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyPEDODSOFPMWUMO-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.73
Rot. Bonds1

About (3S)-3-ethyl-4-methylmorpholine

(3S)-3-ethyl-4-methylmorpholine (PubChem CID 130351596) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S)-3-ethyl-4-methylmorpholine.

Molecular Properties

Compound Name(3S)-3-ethyl-4-methylmorpholine
PubChem CID130351596
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S)-3-ethyl-4-methylmorpholine
SMILESCC[C@H]1COCCN1C
InChIInChI=1S/C7H15NO/c1-3-7-6-9-5-4-8(7)2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyPEDODSOFPMWUMO-ZETCQYMHSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
[(3S)-4-methylmorpholin-3-yl]methanamine
CID 66577079
3-(fluoromethyl)-4-methylmorpholine
CID 83854278
(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine
CID 168851954
2-(4-methylmorpholin-3-yl)ethanol
CID 69499703
2-[(3S)-4-methylmorpholin-3-yl]ethanol
CID 155290392
4-ethyl-3-methyl-1,3-oxazolidine
CID 15072772
ethane;2-[(4-methylmorpholin-3-yl)methyl]propane-1,3-diol
CID 144576606
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500
3-ethyl-4-(2-methoxyethyl)morpholine
CID 157403746
ethane;3-ethyl-4-(oxetan-3-yl)morpholine
CID 177200740
[(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate
CID 118119859

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-methylmorpholine?
The IUPAC name of (3S)-3-ethyl-4-methylmorpholine (CID 130351596) is (3S)-3-ethyl-4-methylmorpholine.
What is the SMILES notation for (3S)-3-ethyl-4-methylmorpholine?
The canonical SMILES for (3S)-3-ethyl-4-methylmorpholine is CC[C@H]1COCCN1C.
What is the InChIKey of (3S)-3-ethyl-4-methylmorpholine?
The InChIKey is PEDODSOFPMWUMO-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-7-6-9-5-4-8(7)2/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-methylmorpholine?
(3S)-3-ethyl-4-methylmorpholine has a molecular weight of 129.20 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-methylmorpholine is sourced from PubChem (CID 130351596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).