2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one

C13H26N2O3 — CID 114776678

IUPAC2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C13H26N2O3/c1-6-14-13(4,5)11(17)15-7-10(8-16)18-12(2,3)9-15/h10,14,16H,6-9H2,1-5H3
InChIKeyYPPMAFSRKLCXEI-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.37
Rot. Bonds4

About 2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one

2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one (PubChem CID 114776678) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one
PubChem CID114776678
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C13H26N2O3/c1-6-14-13(4,5)11(17)15-7-10(8-16)18-12(2,3)9-15/h10,14,16H,6-9H2,1-5H3
InChIKeyYPPMAFSRKLCXEI-UHFFFAOYSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
CID 114776669
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 107220750
N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 114776829
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
CID 114777782
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811
(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid
CID 107829358
(2S)-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanedioic acid
CID 104969899
1-[[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 114777601
1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62931262

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one (CID 114776678) is 2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one is CCNC(C)(C)C(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of 2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
The InChIKey is YPPMAFSRKLCXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-14-13(4,5)11(17)15-7-10(8-16)18-12(2,3)9-15/h10,14,16H,6-9H2,1-5H3.
What are the key properties of 2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 114776678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).