4,4-dimethylmorpholin-4-ium bromide

C6H14BrNO — CID 15549249

IUPAC4,4-dimethylmorpholin-4-ium bromide
SMILESC[N+]1(C)CCOCC1.[Br-]
InChIInChI=1S/C6H14NO.BrH/c1-7(2)3-5-8-6-4-7;/h3-6H2,1-2H3;1H/q+1;/p-1
InChIKeyKSSZOYAWVXPUEW-UHFFFAOYSA-M
MW196.09 g/mol
LogP-2.90
Rot. Bonds

About 4,4-dimethylmorpholin-4-ium bromide

4,4-dimethylmorpholin-4-ium bromide (PubChem CID 15549249) has the molecular formula C6H14BrNO and a molecular weight of 196.09 g/mol. Its IUPAC name is 4,4-dimethylmorpholin-4-ium bromide.

Molecular Properties

Compound Name4,4-dimethylmorpholin-4-ium bromide
PubChem CID15549249
Molecular FormulaC6H14BrNO
Molecular Weight196.09 g/mol
Exact Mass195.03
IUPAC Name4,4-dimethylmorpholin-4-ium bromide
SMILESC[N+]1(C)CCOCC1.[Br-]
InChIInChI=1S/C6H14NO.BrH/c1-7(2)3-5-8-6-4-7;/h3-6H2,1-2H3;1H/q+1;/p-1
InChIKeyKSSZOYAWVXPUEW-UHFFFAOYSA-M
XLogP-2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(4,4-dimethylmorpholin-4-ium);sulfide
CID 67788845
4,4-dimethylmorpholin-4-ium;methanesulfonate
CID 87311376
1,1-dimethylaziridin-1-ium iodide
CID 88764737
(4-methylmorpholin-4-ium-4-yl)methanamine
CID 57313569
4-methyl-4-prop-2-enylmorpholin-4-ium bromide
CID 18617910
1-(4-methylmorpholin-4-ium-4-yl)ethanone
CID 90042639
1-(4-methylmorpholin-4-ium-4-yl)ethanone chloride
CID 90043791
4,4-diethylmorpholin-4-ium hydroxide
CID 172822259
4-methyl-4-oxidomorpholin-4-ium;morpholine
CID 159781986
4-methylmorpholin-4-ium-4-carboxylate;oxygen(2-)
CID 67484156
2-(4-methylmorpholin-4-ium-4-yl)acetonitrile chloride
CID 15869779
1,3-bis(4-methylmorpholin-4-ium-4-yl)propan-2-ol diiodide
CID 46785787

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylmorpholin-4-ium bromide?
The IUPAC name of 4,4-dimethylmorpholin-4-ium bromide (CID 15549249) is 4,4-dimethylmorpholin-4-ium bromide.
What is the SMILES notation for 4,4-dimethylmorpholin-4-ium bromide?
The canonical SMILES for 4,4-dimethylmorpholin-4-ium bromide is C[N+]1(C)CCOCC1.[Br-].
What is the InChIKey of 4,4-dimethylmorpholin-4-ium bromide?
The InChIKey is KSSZOYAWVXPUEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14NO.BrH/c1-7(2)3-5-8-6-4-7;/h3-6H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 4,4-dimethylmorpholin-4-ium bromide?
4,4-dimethylmorpholin-4-ium bromide has a molecular weight of 196.09 g/mol, XLogP of -2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylmorpholin-4-ium bromide is sourced from PubChem (CID 15549249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).