1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one

C13H25NO2 — CID 62623866

IUPAC1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one
SMILESCCC1CN(CCC(=O)C(C)(C)C)CCO1
InChIInChI=1S/C13H25NO2/c1-5-11-10-14(8-9-16-11)7-6-12(15)13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyFEAQUDJIJCJRJL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds4

About 1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one

1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one (PubChem CID 62623866) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one
PubChem CID62623866
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one
SMILESCCC1CN(CCC(=O)C(C)(C)C)CCO1
InChIInChI=1S/C13H25NO2/c1-5-11-10-14(8-9-16-11)7-6-12(15)13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyFEAQUDJIJCJRJL-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid
CID 65254891
2-amino-4-(2-ethylmorpholin-4-yl)butanoic acid
CID 63028647
4-dodecyl-2-ethylmorpholine
CID 4616518
1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104
1-(2-ethylmorpholin-4-yl)-3-methylbutan-2-one
CID 79396089
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
1-(2-ethylmorpholin-4-yl)butan-2-one
CID 62040570
2,4-diethylmorpholine
CID 58988021
N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60850473
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718
4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid
CID 63028463
4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanamide
CID 63028456

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one?
The IUPAC name of 1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one (CID 62623866) is 1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one is CCC1CN(CCC(=O)C(C)(C)C)CCO1.
What is the InChIKey of 1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one?
The InChIKey is FEAQUDJIJCJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-11-10-14(8-9-16-11)7-6-12(15)13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one?
1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one has a molecular weight of 227.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 62623866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).