trimethoxy(methyl)azanium;dihydrochloride

C4H14Cl2NO3+ — CID 174450947

IUPACtrimethoxy(methyl)azanium;dihydrochloride
SMILESCO[N+](C)(OC)OC.Cl.Cl
InChIInChI=1S/C4H12NO3.2ClH/c1-5(6-2,7-3)8-4;;/h1-4H3;2*1H/q+1;;
InChIKeyUMSUNYSGCBYPBL-UHFFFAOYSA-N
MW195.07 g/mol
LogP0.96
Rot. Bonds3

About trimethoxy(methyl)azanium;dihydrochloride

trimethoxy(methyl)azanium;dihydrochloride (PubChem CID 174450947) has the molecular formula C4H14Cl2NO3+ and a molecular weight of 195.07 g/mol. Its IUPAC name is trimethoxy(methyl)azanium;dihydrochloride.

Molecular Properties

Compound Nametrimethoxy(methyl)azanium;dihydrochloride
PubChem CID174450947
Molecular FormulaC4H14Cl2NO3+
Molecular Weight195.07 g/mol
Exact Mass194.03
IUPAC Nametrimethoxy(methyl)azanium;dihydrochloride
SMILESCO[N+](C)(OC)OC.Cl.Cl
InChIInChI=1S/C4H12NO3.2ClH/c1-5(6-2,7-3)8-4;;/h1-4H3;2*1H/q+1;;
InChIKeyUMSUNYSGCBYPBL-UHFFFAOYSA-N
XLogP0.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Dimethoxy(dimethyl)ammonium chloride
CID 71330655
N,N-dimethoxymethanamine;hydrochloride
CID 86234956
Trimethoxy(methyl)azanium
CID 153179344
Chloromethoxy-dimethoxy-methylazanium chloride
CID 160955630
Trimethoxy(methyl)azanium chloride
CID 161184595
Chloromethyl(trimethoxy)azanium chloride
CID 174710095
Chloromethoxy-dimethoxy-methylazanium
CID 160955631
Chloromethyl(trimethoxy)azanium
CID 174710096

Frequently Asked Questions

What is the IUPAC name of trimethoxy(methyl)azanium;dihydrochloride?
The IUPAC name of trimethoxy(methyl)azanium;dihydrochloride (CID 174450947) is trimethoxy(methyl)azanium;dihydrochloride.
What is the SMILES notation for trimethoxy(methyl)azanium;dihydrochloride?
The canonical SMILES for trimethoxy(methyl)azanium;dihydrochloride is CO[N+](C)(OC)OC.Cl.Cl.
What is the InChIKey of trimethoxy(methyl)azanium;dihydrochloride?
The InChIKey is UMSUNYSGCBYPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3.2ClH/c1-5(6-2,7-3)8-4;;/h1-4H3;2*1H/q+1;;.
What are the key properties of trimethoxy(methyl)azanium;dihydrochloride?
trimethoxy(methyl)azanium;dihydrochloride has a molecular weight of 195.07 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(methyl)azanium;dihydrochloride is sourced from PubChem (CID 174450947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).