trimethoxy(methyl)azanium chloride

C4H12ClNO3 — CID 161184595

IUPACtrimethoxy(methyl)azanium chloride
SMILESCO[N+](C)(OC)OC.[Cl-]
InChIInChI=1S/C4H12NO3.ClH/c1-5(6-2,7-3)8-4;/h1-4H3;1H/q+1;/p-1
InChIKeyUSXMDVUYPMRUGG-UHFFFAOYSA-M
MW157.60 g/mol
LogP-2.88
Rot. Bonds3

About trimethoxy(methyl)azanium chloride

trimethoxy(methyl)azanium chloride (PubChem CID 161184595) has the molecular formula C4H12ClNO3 and a molecular weight of 157.60 g/mol. Its IUPAC name is trimethoxy(methyl)azanium chloride.

Molecular Properties

Compound Nametrimethoxy(methyl)azanium chloride
PubChem CID161184595
Molecular FormulaC4H12ClNO3
Molecular Weight157.60 g/mol
Exact Mass157.05
IUPAC Nametrimethoxy(methyl)azanium chloride
SMILESCO[N+](C)(OC)OC.[Cl-]
InChIInChI=1S/C4H12NO3.ClH/c1-5(6-2,7-3)8-4;/h1-4H3;1H/q+1;/p-1
InChIKeyUSXMDVUYPMRUGG-UHFFFAOYSA-M
XLogP-2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 5-2.88
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

N-Hydroxy-N-methoxymethanamine--hydrogen chloride (1/1)
CID 21957425
N,N-dimethoxymethanamine
CID 21645535
Dimethoxy(dimethyl)ammonium chloride
CID 71330655
N,N-dimethoxymethanamine;hydrochloride
CID 86234956
N-methoxy-N-[methoxy(methyl)amino]oxymethanamine
CID 89994934
N,N,1-trimethoxymethanamine
CID 152115979
Trimethoxy(methyl)azanium
CID 153179344
Chloromethoxy-dimethoxy-methylazanium chloride
CID 160955630
N,N-dimethoxymethanamine oxide
CID 163873153
N,N-dimethoxymethanamine;neptunium
CID 164078431
Trimethoxy(methyl)azanium;dihydrochloride
CID 174450947
Chloromethyl(trimethoxy)azanium chloride
CID 174710095

Frequently Asked Questions

What is the IUPAC name of trimethoxy(methyl)azanium chloride?
The IUPAC name of trimethoxy(methyl)azanium chloride (CID 161184595) is trimethoxy(methyl)azanium chloride.
What is the SMILES notation for trimethoxy(methyl)azanium chloride?
The canonical SMILES for trimethoxy(methyl)azanium chloride is CO[N+](C)(OC)OC.[Cl-].
What is the InChIKey of trimethoxy(methyl)azanium chloride?
The InChIKey is USXMDVUYPMRUGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12NO3.ClH/c1-5(6-2,7-3)8-4;/h1-4H3;1H/q+1;/p-1.
What are the key properties of trimethoxy(methyl)azanium chloride?
trimethoxy(methyl)azanium chloride has a molecular weight of 157.60 g/mol, XLogP of -2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(methyl)azanium chloride is sourced from PubChem (CID 161184595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).