3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one

C11H22N2O2 — CID 64684519

IUPAC3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
SMILESCC1CN(C(=O)CC(C)(C)N)CC(C)O1
InChIInChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)15-8)10(14)5-11(3,4)12/h8-9H,5-7,12H2,1-4H3
InChIKeyVSMVAGTWNIDSBD-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds2

About 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one

3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one (PubChem CID 64684519) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
PubChem CID64684519
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
SMILESCC1CN(C(=O)CC(C)(C)N)CC(C)O1
InChIInChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)15-8)10(14)5-11(3,4)12/h8-9H,5-7,12H2,1-4H3
InChIKeyVSMVAGTWNIDSBD-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
CID 51076738
1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 64678468
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
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
6-amino-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylhexan-1-one
CID 65293281
3-amino-1-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 124696004
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide
CID 47030863
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43120415
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
CID 120874141
2-(1-aminocyclobutyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 79851326

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one (CID 64684519) is 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one is CC1CN(C(=O)CC(C)(C)N)CC(C)O1.
What is the InChIKey of 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The InChIKey is VSMVAGTWNIDSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)15-8)10(14)5-11(3,4)12/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one is sourced from PubChem (CID 64684519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).