tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)

C13H31N5Zr — CID 59137871

IUPACtris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)
SMILESC/N=C(C)/C=C(/C)[N-]C.C[N-]C.C[N-]C.C[N-]C.[Zr+4]
InChIInChI=1S/C7H13N2.3C2H6N.Zr/c1-6(8-3)5-7(2)9-4;3*1-3-2;/h5H,1-4H3;3*1-2H3;/q4*-1;+4/b6-5-,9-7+;;;;
InChIKeyJDCXPVYJWWFXBK-OORDTNKISA-N
MW348.65 g/mol
LogP3.84
Rot. Bonds2

About tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)

tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+) (PubChem CID 59137871) has the molecular formula C13H31N5Zr and a molecular weight of 348.65 g/mol. Its IUPAC name is tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+).

Molecular Properties

Compound Nametris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)
PubChem CID59137871
Molecular FormulaC13H31N5Zr
Molecular Weight348.65 g/mol
Exact Mass347.16
IUPAC Nametris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)
SMILESC/N=C(C)/C=C(/C)[N-]C.C[N-]C.C[N-]C.C[N-]C.[Zr+4]
InChIInChI=1S/C7H13N2.3C2H6N.Zr/c1-6(8-3)5-7(2)9-4;3*1-3-2;/h5H,1-4H3;3*1-2H3;/q4*-1;+4/b6-5-,9-7+;;;;
InChIKeyJDCXPVYJWWFXBK-OORDTNKISA-N
XLogP3.84
TPSA68.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.65
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+) with MolForge

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Related Compounds

Bis(mu2-hydrido)-bis(N,N'-dimethylpentane-2,4-diiminato-N,N')-di-magnesium(II)
CID 46238547
dimagnesium;hydride;bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 129892958
Bis(4-N-methylimino-2-N-methylamino-2-pentene)bis(dimethylamido) zirconium(IV)
CID 139130801
Bis(4-N-methylimino-2-methylamino-2-pentene)bis(ethylamido) zirconium
CID 139130802
manganese(2+);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 162406733
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814
strontium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)
CID 59137867
calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)
CID 59137869
barium(2+);bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)
CID 59137870
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560398

Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)?
The IUPAC name of tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+) (CID 59137871) is tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+).
What is the SMILES notation for tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)?
The canonical SMILES for tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+) is C/N=C(C)/C=C(/C)[N-]C.C[N-]C.C[N-]C.C[N-]C.[Zr+4].
What is the InChIKey of tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)?
The InChIKey is JDCXPVYJWWFXBK-OORDTNKISA-N. The full InChI is InChI=1S/C7H13N2.3C2H6N.Zr/c1-6(8-3)5-7(2)9-4;3*1-3-2;/h5H,1-4H3;3*1-2H3;/q4*-1;+4/b6-5-,9-7+;;;;.
What are the key properties of tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)?
tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+) has a molecular weight of 348.65 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+) is sourced from PubChem (CID 59137871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).