4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine

C11H22N2O — CID 116679454

IUPAC4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCC2CNC2)CCO1
InChIInChI=1S/C11H22N2O/c1-11(2)9-13(5-6-14-11)4-3-10-7-12-8-10/h10,12H,3-9H2,1-2H3
InChIKeyPQLYBGQLVWUEAN-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds3

About 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine

4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine (PubChem CID 116679454) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine
PubChem CID116679454
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCC2CNC2)CCO1
InChIInChI=1S/C11H22N2O/c1-11(2)9-13(5-6-14-11)4-3-10-7-12-8-10/h10,12H,3-9H2,1-2H3
InChIKeyPQLYBGQLVWUEAN-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine
CID 116680473
4-(2,2-dimethylmorpholin-4-yl)butan-1-amine
CID 43592480
4-(2,2-dimethylmorpholin-4-yl)butan-1-ol
CID 43593140
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;yttrium
CID 162684002
4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane
CID 116679964
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;ethane
CID 162683965
2,2-dimethyl-4-prop-2-enylmorpholine
CID 70009484
1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropan-1-amine
CID 65459106
N-(dicyclopropylmethyl)-2-(2,2-dimethylmorpholin-4-yl)ethanamine
CID 62561005
4-(2,2-dimethylmorpholin-4-yl)butanoic acid
CID 43593005
4-(2,2-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64798555
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine
CID 62559338

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine (CID 116679454) is 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine is CC1(C)CN(CCC2CNC2)CCO1.
What is the InChIKey of 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine?
The InChIKey is PQLYBGQLVWUEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)9-13(5-6-14-11)4-3-10-7-12-8-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine?
4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 116679454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).