bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium

C22H52N6Zr-6 — CID 5252145

IUPACbis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium
SMILESCC[N-]CC.CC[N-]CC.C[N-]C(C)CC(C)[N-]C.C[N-]C(C)CC(C)[N-]C.[Zr]
InChIInChI=1S/2C7H16N2.2C4H10N.Zr/c2*1-6(8-3)5-7(2)9-4;2*1-3-5-4-2;/h2*6-7H,5H2,1-4H3;2*3-4H2,1-2H3;/q2*-2;2*-1;
InChIKeyDSXLZEVSGPUKOA-UHFFFAOYSA-N
MW491.92 g/mol
LogP7.12
Rot. Bonds12

About bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium

bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium (PubChem CID 5252145) has the molecular formula C22H52N6Zr-6 and a molecular weight of 491.92 g/mol. Its IUPAC name is bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium.

Molecular Properties

Compound Namebis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium
PubChem CID5252145
Molecular FormulaC22H52N6Zr-6
Molecular Weight491.92 g/mol
Exact Mass490.33
IUPAC Namebis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium
SMILESCC[N-]CC.CC[N-]CC.C[N-]C(C)CC(C)[N-]C.C[N-]C(C)CC(C)[N-]C.[Zr]
InChIInChI=1S/2C7H16N2.2C4H10N.Zr/c2*1-6(8-3)5-7(2)9-4;2*1-3-5-4-2;/h2*6-7H,5H2,1-4H3;2*3-4H2,1-2H3;/q2*-2;2*-1;
InChIKeyDSXLZEVSGPUKOA-UHFFFAOYSA-N
XLogP7.12
TPSA84.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.92
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(methyl(4-methylazanidylpentan-2-yl)azanide);zinc
CID 166057289
ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc
CID 168728778
bis(diethylazanide);bis(dimethylazanide);zirconium(4+)
CID 18432248
tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)
CID 87312949
bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)
CID 87312374
tris(diethylazanide);di(propan-2-yl)azanide;tungsten
CID 87312600
pentadecakis(diethylazanide);tris(niobium(5+))
CID 139131971
tetrakis(diethylazanide);tantalum
CID 18421483
diethylazanide;nickel
CID 154094168
zinc bis(diethylazanide)
CID 11042012
diethylazanide;manganese
CID 154103765
gallium tris(diethylazanide)
CID 134068145

Frequently Asked Questions

What is the IUPAC name of bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium?
The IUPAC name of bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium (CID 5252145) is bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium.
What is the SMILES notation for bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium?
The canonical SMILES for bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium is CC[N-]CC.CC[N-]CC.C[N-]C(C)CC(C)[N-]C.C[N-]C(C)CC(C)[N-]C.[Zr].
What is the InChIKey of bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium?
The InChIKey is DSXLZEVSGPUKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N2.2C4H10N.Zr/c2*1-6(8-3)5-7(2)9-4;2*1-3-5-4-2;/h2*6-7H,5H2,1-4H3;2*3-4H2,1-2H3;/q2*-2;2*-1;.
What are the key properties of bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium?
bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium has a molecular weight of 491.92 g/mol, XLogP of 7.12, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium is sourced from PubChem (CID 5252145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).