bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane

C14H36N4O6 — CID 157055029

IUPACbis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane
SMILESC.C.C.C.[C-]#[N+]N=C(OC)OC.[H]N=C(OC)OC.[H]N=C(OC)OC
InChIInChI=1S/C4H6N2O2.2C3H7NO2.4CH4/c1-5-6-4(7-2)8-3;2*1-5-3(4)6-2;;;;/h2-3H3;2*4H,1-2H3;4*1H4
InChIKeyAAQOFAYXQUMDRP-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.44
Rot. Bonds

About bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane

bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane (PubChem CID 157055029) has the molecular formula C14H36N4O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane.

Molecular Properties

Compound Namebis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane
PubChem CID157055029
Molecular FormulaC14H36N4O6
Molecular Weight356.46 g/mol
Exact Mass356.26
IUPAC Namebis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane
SMILESC.C.C.C.[C-]#[N+]N=C(OC)OC.[H]N=C(OC)OC.[H]N=C(OC)OC
InChIInChI=1S/C4H6N2O2.2C3H7NO2.4CH4/c1-5-6-4(7-2)8-3;2*1-5-3(4)6-2;;;;/h2-3H3;2*4H,1-2H3;4*1H4
InChIKeyAAQOFAYXQUMDRP-UHFFFAOYSA-N
XLogP3.44
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane?
The IUPAC name of bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane (CID 157055029) is bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane.
What is the SMILES notation for bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane?
The canonical SMILES for bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane is C.C.C.C.[C-]#[N+]N=C(OC)OC.[H]N=C(OC)OC.[H]N=C(OC)OC.
What is the InChIKey of bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane?
The InChIKey is AAQOFAYXQUMDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.2C3H7NO2.4CH4/c1-5-6-4(7-2)8-3;2*1-5-3(4)6-2;;;;/h2-3H3;2*4H,1-2H3;4*1H4.
What are the key properties of bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane?
bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane has a molecular weight of 356.46 g/mol, XLogP of 3.44, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethoxymethanimine);N-isocyano-1,1-dimethoxymethanimine;methane is sourced from PubChem (CID 157055029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).