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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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).