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

C18H38N6Zr — CID 139130801

IUPACbis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)
SMILESC/N=C(C)/C=C(/C)[N-]C.C/N=C(C)/C=C(/C)[N-]C.C[N-]C.C[N-]C.[Zr+4]
InChIInChI=1S/2C7H13N2.2C2H6N.Zr/c2*1-6(8-3)5-7(2)9-4;2*1-3-2;/h2*5H,1-4H3;2*1-2H3;/q4*-1;+4/b2*6-5-,9-7+;;;
InChIKeyQYSPEDHSOOYZRG-VSPACQEASA-N
MW429.77 g/mol
LogP5.21
Rot. Bonds4

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

bis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+) (PubChem CID 139130801) has the molecular formula C18H38N6Zr and a molecular weight of 429.77 g/mol. Its IUPAC name is bis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+).

Molecular Properties

Compound Namebis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)
PubChem CID139130801
Molecular FormulaC18H38N6Zr
Molecular Weight429.77 g/mol
Exact Mass428.22
IUPAC Namebis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)
SMILESC/N=C(C)/C=C(/C)[N-]C.C/N=C(C)/C=C(/C)[N-]C.C[N-]C.C[N-]C.[Zr+4]
InChIInChI=1S/2C7H13N2.2C2H6N.Zr/c2*1-6(8-3)5-7(2)9-4;2*1-3-2;/h2*5H,1-4H3;2*1-2H3;/q4*-1;+4/b2*6-5-,9-7+;;;
InChIKeyQYSPEDHSOOYZRG-VSPACQEASA-N
XLogP5.21
TPSA81.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.77
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)?
The IUPAC name of bis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+) (CID 139130801) is bis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+).
What is the SMILES notation for bis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)?
The canonical SMILES for bis(dimethylazanide);bis(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)/C=C(/C)[N-]C.C[N-]C.C[N-]C.[Zr+4].
What is the InChIKey of bis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)?
The InChIKey is QYSPEDHSOOYZRG-VSPACQEASA-N. The full InChI is InChI=1S/2C7H13N2.2C2H6N.Zr/c2*1-6(8-3)5-7(2)9-4;2*1-3-2;/h2*5H,1-4H3;2*1-2H3;/q4*-1;+4/b2*6-5-,9-7+;;;.
What are the key properties of bis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)?
bis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+) has a molecular weight of 429.77 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+) is sourced from PubChem (CID 139130801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).