dimethoxy(dimethyl)azanium chloride

C4H12ClNO2 — CID 71330655

IUPACdimethoxy(dimethyl)azanium chloride
SMILESCO[N+](C)(C)OC.[Cl-]
InChIInChI=1S/C4H12NO2.ClH/c1-5(2,6-3)7-4;/h1-4H3;1H/q+1;/p-1
InChIKeyRAJWPCGTPQFHQG-UHFFFAOYSA-M
MW141.60 g/mol
LogP-2.81
Rot. Bonds2

About dimethoxy(dimethyl)azanium chloride

dimethoxy(dimethyl)azanium chloride (PubChem CID 71330655) has the molecular formula C4H12ClNO2 and a molecular weight of 141.60 g/mol. Its IUPAC name is dimethoxy(dimethyl)azanium chloride.

Molecular Properties

Compound Namedimethoxy(dimethyl)azanium chloride
PubChem CID71330655
Molecular FormulaC4H12ClNO2
Molecular Weight141.60 g/mol
Exact Mass141.06
IUPAC Namedimethoxy(dimethyl)azanium chloride
SMILESCO[N+](C)(C)OC.[Cl-]
InChIInChI=1S/C4H12NO2.ClH/c1-5(2,6-3)7-4;/h1-4H3;1H/q+1;/p-1
InChIKeyRAJWPCGTPQFHQG-UHFFFAOYSA-M
XLogP-2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 5-2.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methylmethanamine oxide
CID 18929186
Dimethoxy(dimethyl)azanium
CID 54090232
N-[[dimethylaminooxy(methyl)amino]methoxy]-N-methylhydroxylamine
CID 138524967
N,1-dimethoxy-N-methylmethanamine
CID 142058192
Dimethoxy-(methoxymethyl)-methylazanium
CID 158168444
Dimethylaminooxy-methoxy-dimethylazanium
CID 159340067
N-[methoxy(methyl)amino]oxy-N-methylmethanamine
CID 159625059
Trimethoxy(methyl)azanium chloride
CID 161184595
(Dimethoxyamino)oxy-trimethylazanium
CID 163789768
Dimethylamino-dimethoxy-methylazanium
CID 163977222
Methoxy(trimethyl)azanium chloride
CID 169313122
Trimethoxy(methyl)azanium;dihydrochloride
CID 174450947

Frequently Asked Questions

What is the IUPAC name of dimethoxy(dimethyl)azanium chloride?
The IUPAC name of dimethoxy(dimethyl)azanium chloride (CID 71330655) is dimethoxy(dimethyl)azanium chloride.
What is the SMILES notation for dimethoxy(dimethyl)azanium chloride?
The canonical SMILES for dimethoxy(dimethyl)azanium chloride is CO[N+](C)(C)OC.[Cl-].
What is the InChIKey of dimethoxy(dimethyl)azanium chloride?
The InChIKey is RAJWPCGTPQFHQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12NO2.ClH/c1-5(2,6-3)7-4;/h1-4H3;1H/q+1;/p-1.
What are the key properties of dimethoxy(dimethyl)azanium chloride?
dimethoxy(dimethyl)azanium chloride has a molecular weight of 141.60 g/mol, XLogP of -2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(dimethyl)azanium chloride is sourced from PubChem (CID 71330655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).