1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one

C11H21NO2 — CID 79666840

IUPAC1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1CN(CC)CCO1
InChIInChI=1S/C11H21NO2/c1-4-9(3)11(13)10-8-12(5-2)6-7-14-10/h9-10H,4-8H2,1-3H3
InChIKeyIHUYSSWXQSGJMJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds4

About 1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one

1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one (PubChem CID 79666840) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
PubChem CID79666840
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1CN(CC)CCO1
InChIInChI=1S/C11H21NO2/c1-4-9(3)11(13)10-8-12(5-2)6-7-14-10/h9-10H,4-8H2,1-3H3
InChIKeyIHUYSSWXQSGJMJ-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one
CID 79657753
4-ethylmorpholine-2-carboxylate
CID 127053688
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
2-methyl-1-(4-methylmorpholin-2-yl)pentan-1-one
CID 107896344
cycloheptyl-(4-ethylmorpholin-2-yl)methanone
CID 82931691
ethane;4-ethyl-2-prop-1-en-2-ylmorpholine
CID 177135934
N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide
CID 119587494
4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide
CID 71856712
4-ethyl-N-[2-(methylamino)ethyl]morpholine-2-carboxamide
CID 119502673
(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79667186
1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one
CID 79666251
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 129414733

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one (CID 79666840) is 1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one is CCC(C)C(=O)C1CN(CC)CCO1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one?
The InChIKey is IHUYSSWXQSGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9(3)11(13)10-8-12(5-2)6-7-14-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one?
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one is sourced from PubChem (CID 79666840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).