2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine

C13H25NO3 — CID 146560366

IUPAC2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine
SMILESCC[C@@H]1CCOC[C@H]1OCC1CN(C)CCO1
InChIInChI=1S/C13H25NO3/c1-3-11-4-6-15-10-13(11)17-9-12-8-14(2)5-7-16-12/h11-13H,3-10H2,1-2H3/t11-,12?,13-/m1/s1
InChIKeyYBROJENNAAQUDH-LKOMHFJYSA-N
MW243.35 g/mol
LogP1.15
Rot. Bonds4

About 2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine

2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine (PubChem CID 146560366) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine
PubChem CID146560366
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine
SMILESCC[C@@H]1CCOC[C@H]1OCC1CN(C)CCO1
InChIInChI=1S/C13H25NO3/c1-3-11-4-6-15-10-13(11)17-9-12-8-14(2)5-7-16-12/h11-13H,3-10H2,1-2H3/t11-,12?,13-/m1/s1
InChIKeyYBROJENNAAQUDH-LKOMHFJYSA-N
XLogP1.15
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

O-[(4-methylmorpholin-2-yl)methyl]hydroxylamine
CID 79427912
[(2R)-4-methylmorpholin-2-yl]methoxyphosphane
CID 143396445
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
[3-[(4-methylmorpholin-2-yl)methoxy]cyclobutyl]methanamine
CID 79182951
[(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate
CID 170320181
4-methyl-2-[[(3S)-piperidin-3-yl]oxymethyl]morpholine
CID 79183215
[3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]piperidin-2-yl]methanamine
CID 82736712
(2R)-4-methyl-2-[[3-(4-methylpiperidin-1-yl)cyclobutyl]oxymethyl]morpholine
CID 166536671
[2-[(4-methylmorpholin-2-yl)methoxymethyl]cyclohexyl]methanamine
CID 79182689
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
[3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788230
2-[2-(3-ethylcyclobutyl)ethyl]-4-methylmorpholine
CID 170953530

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine?
The IUPAC name of 2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine (CID 146560366) is 2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine.
What is the SMILES notation for 2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine?
The canonical SMILES for 2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine is CC[C@@H]1CCOC[C@H]1OCC1CN(C)CCO1.
What is the InChIKey of 2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine?
The InChIKey is YBROJENNAAQUDH-LKOMHFJYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-11-4-6-15-10-13(11)17-9-12-8-14(2)5-7-16-12/h11-13H,3-10H2,1-2H3/t11-,12?,13-/m1/s1.
What are the key properties of 2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine?
2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine has a molecular weight of 243.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-4-ethyloxan-3-yl]oxymethyl]-4-methylmorpholine is sourced from PubChem (CID 146560366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).