methoxymethyl(trimethyl)azanium

C5H14NO+ — CID 22816

IUPACmethoxymethyl(trimethyl)azanium
SMILESCOC[N+](C)(C)C
InChIInChI=1S/C5H14NO/c1-6(2,3)5-7-4/h5H2,1-4H3/q+1
InChIKeySUQNNSTVKPMHRZ-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.30
Rot. Bonds2

About methoxymethyl(trimethyl)azanium

methoxymethyl(trimethyl)azanium (PubChem CID 22816) has the molecular formula C5H14NO+ and a molecular weight of 104.17 g/mol. Its IUPAC name is methoxymethyl(trimethyl)azanium.

Molecular Properties

Compound Namemethoxymethyl(trimethyl)azanium
PubChem CID22816
Molecular FormulaC5H14NO+
Molecular Weight104.17 g/mol
Exact Mass104.11
IUPAC Namemethoxymethyl(trimethyl)azanium
SMILESCOC[N+](C)(C)C
InChIInChI=1S/C5H14NO/c1-6(2,3)5-7-4/h5H2,1-4H3/q+1
InChIKeySUQNNSTVKPMHRZ-UHFFFAOYSA-N
XLogP0.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl(trimethyl)azanium?
The IUPAC name of methoxymethyl(trimethyl)azanium (CID 22816) is methoxymethyl(trimethyl)azanium.
What is the SMILES notation for methoxymethyl(trimethyl)azanium?
The canonical SMILES for methoxymethyl(trimethyl)azanium is COC[N+](C)(C)C.
What is the InChIKey of methoxymethyl(trimethyl)azanium?
The InChIKey is SUQNNSTVKPMHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO/c1-6(2,3)5-7-4/h5H2,1-4H3/q+1.
What are the key properties of methoxymethyl(trimethyl)azanium?
methoxymethyl(trimethyl)azanium has a molecular weight of 104.17 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl(trimethyl)azanium is sourced from PubChem (CID 22816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).