dimethoxy-methyl-(methylamino)azanium

C4H13N2O2+ — CID 159622548

IUPACdimethoxy-methyl-(methylamino)azanium
SMILESCN[N+](C)(OC)OC
InChIInChI=1S/C4H13N2O2/c1-5-6(2,7-3)8-4/h5H,1-4H3/q+1
InChIKeyKIRUGVBNZIOVIG-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.31
Rot. Bonds3

About dimethoxy-methyl-(methylamino)azanium

dimethoxy-methyl-(methylamino)azanium (PubChem CID 159622548) has the molecular formula C4H13N2O2+ and a molecular weight of 121.16 g/mol. Its IUPAC name is dimethoxy-methyl-(methylamino)azanium.

Molecular Properties

Compound Namedimethoxy-methyl-(methylamino)azanium
PubChem CID159622548
Molecular FormulaC4H13N2O2+
Molecular Weight121.16 g/mol
Exact Mass121.10
IUPAC Namedimethoxy-methyl-(methylamino)azanium
SMILESCN[N+](C)(OC)OC
InChIInChI=1S/C4H13N2O2/c1-5-6(2,7-3)8-4/h5H,1-4H3/q+1
InChIKeyKIRUGVBNZIOVIG-UHFFFAOYSA-N
XLogP-0.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-(methylamino)azanium?
The IUPAC name of dimethoxy-methyl-(methylamino)azanium (CID 159622548) is dimethoxy-methyl-(methylamino)azanium.
What is the SMILES notation for dimethoxy-methyl-(methylamino)azanium?
The canonical SMILES for dimethoxy-methyl-(methylamino)azanium is CN[N+](C)(OC)OC.
What is the InChIKey of dimethoxy-methyl-(methylamino)azanium?
The InChIKey is KIRUGVBNZIOVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N2O2/c1-5-6(2,7-3)8-4/h5H,1-4H3/q+1.
What are the key properties of dimethoxy-methyl-(methylamino)azanium?
dimethoxy-methyl-(methylamino)azanium has a molecular weight of 121.16 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-(methylamino)azanium is sourced from PubChem (CID 159622548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).