dimethoxy-(methoxymethyl)-methylazanium

C5H14NO3+ — CID 158168444

IUPACdimethoxy-(methoxymethyl)-methylazanium
SMILESCOC[N+](C)(OC)OC
InChIInChI=1S/C5H14NO3/c1-6(8-3,9-4)5-7-2/h5H2,1-4H3/q+1
InChIKeyZRTHWVIGDIUUJD-UHFFFAOYSA-N
MW136.17 g/mol
LogP0.16
Rot. Bonds4

About dimethoxy-(methoxymethyl)-methylazanium

dimethoxy-(methoxymethyl)-methylazanium (PubChem CID 158168444) has the molecular formula C5H14NO3+ and a molecular weight of 136.17 g/mol. Its IUPAC name is dimethoxy-(methoxymethyl)-methylazanium.

Molecular Properties

Compound Namedimethoxy-(methoxymethyl)-methylazanium
PubChem CID158168444
Molecular FormulaC5H14NO3+
Molecular Weight136.17 g/mol
Exact Mass136.10
IUPAC Namedimethoxy-(methoxymethyl)-methylazanium
SMILESCOC[N+](C)(OC)OC
InChIInChI=1S/C5H14NO3/c1-6(8-3,9-4)5-7-2/h5H2,1-4H3/q+1
InChIKeyZRTHWVIGDIUUJD-UHFFFAOYSA-N
XLogP0.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-(methoxymethyl)-methylazanium?
The IUPAC name of dimethoxy-(methoxymethyl)-methylazanium (CID 158168444) is dimethoxy-(methoxymethyl)-methylazanium.
What is the SMILES notation for dimethoxy-(methoxymethyl)-methylazanium?
The canonical SMILES for dimethoxy-(methoxymethyl)-methylazanium is COC[N+](C)(OC)OC.
What is the InChIKey of dimethoxy-(methoxymethyl)-methylazanium?
The InChIKey is ZRTHWVIGDIUUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO3/c1-6(8-3,9-4)5-7-2/h5H2,1-4H3/q+1.
What are the key properties of dimethoxy-(methoxymethyl)-methylazanium?
dimethoxy-(methoxymethyl)-methylazanium has a molecular weight of 136.17 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(methoxymethyl)-methylazanium is sourced from PubChem (CID 158168444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).