nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+))

C20H60N10O2Zr3 — CID 139118727

IUPACnonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+))
SMILESCN(C)[O-].C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[O-2].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/C2H6NO.9C2H6N.O.3Zr/c1-3(2)4;9*1-3-2;;;;/h1-2H3;9*1-2H3;;;;/q10*-1;-2;3*+4
InChIKeyQWHSXTJBCLJYCC-UHFFFAOYSA-N
MW746.44 g/mol
LogP5.50
Rot. Bonds

About nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+))

nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+)) (PubChem CID 139118727) has the molecular formula C20H60N10O2Zr3 and a molecular weight of 746.44 g/mol. Its IUPAC name is nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+)).

Molecular Properties

Compound Namenonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+))
PubChem CID139118727
Molecular FormulaC20H60N10O2Zr3
Molecular Weight746.44 g/mol
Exact Mass742.20
IUPAC Namenonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+))
SMILESCN(C)[O-].C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[O-2].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/C2H6NO.9C2H6N.O.3Zr/c1-3(2)4;9*1-3-2;;;;/h1-2H3;9*1-2H3;;;;/q10*-1;-2;3*+4
InChIKeyQWHSXTJBCLJYCC-UHFFFAOYSA-N
XLogP5.50
TPSA181.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tetrakis(dimethylazanide);tantalum
CID 160966276
tris(dimethylazanide);niobium(3+)
CID 101066426
octakis(dimethylazanide);bis(hafnium(4+))
CID 157096760
dimethylazanide;yttrium
CID 59928883
CID 57370739
CID 57370739
carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)
CID 162293218
carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+)
CID 158282113
dimethylazanide;methane;yttrium
CID 159099906
dimethylazanide;tantalum(5+);tetrachloride
CID 158125038
tris(dimethylazanide);hafnium(4+);chloride
CID 23015303
dimethylazanide;tungsten;hydrobromide
CID 175493995
carbanide;dimethylazanide;methyl(2-methylazanidylethyl)azanide;zirconium(4+)
CID 171766717

Frequently Asked Questions

What is the IUPAC name of nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+))?
The IUPAC name of nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+)) (CID 139118727) is nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+)).
What is the SMILES notation for nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+))?
The canonical SMILES for nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+)) is CN(C)[O-].C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[O-2].[Zr+4].[Zr+4].[Zr+4].
What is the InChIKey of nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+))?
The InChIKey is QWHSXTJBCLJYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NO.9C2H6N.O.3Zr/c1-3(2)4;9*1-3-2;;;;/h1-2H3;9*1-2H3;;;;/q10*-1;-2;3*+4.
What are the key properties of nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+))?
nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+)) has a molecular weight of 746.44 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+)) is sourced from PubChem (CID 139118727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).