2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C12H23N3O2 — CID 66187363

IUPAC2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN(C)C2CNC2)CC(C)O1
InChIInChI=1S/C12H23N3O2/c1-9-6-15(7-10(2)17-9)12(16)8-14(3)11-4-13-5-11/h9-11,13H,4-8H2,1-3H3
InChIKeyJTRKNBYFWIKNNI-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.47
Rot. Bonds3

About 2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 66187363) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID66187363
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN(C)C2CNC2)CC(C)O1
InChIInChI=1S/C12H23N3O2/c1-9-6-15(7-10(2)17-9)12(16)8-14(3)11-4-13-5-11/h9-11,13H,4-8H2,1-3H3
InChIKeyJTRKNBYFWIKNNI-UHFFFAOYSA-N
XLogP-0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone
CID 119915244
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone
CID 124725492
1-(2,6-dimethylmorpholin-4-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]ethanone
CID 63265431
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 62014674
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912587
2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride
CID 146154016
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 134052196
2-[methyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylethanone
CID 63301630
1-(2,6-dimethylmorpholin-4-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 115758447
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 66187363) is 2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN(C)C2CNC2)CC(C)O1.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is JTRKNBYFWIKNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-6-15(7-10(2)17-9)12(16)8-14(3)11-4-13-5-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 66187363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).