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

C22H46N6Zr — CID 139130802

IUPACbis(diethylazanide);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.CC[N-]CC.CC[N-]CC.[Zr+4]
InChIInChI=1S/2C7H13N2.2C4H10N.Zr/c2*1-6(8-3)5-7(2)9-4;2*1-3-5-4-2;/h2*5H,1-4H3;2*3-4H2,1-2H3;/q4*-1;+4/b2*6-5-,9-7+;;;
InChIKeyGAUKIJKRDAOLAP-VSPACQEASA-N
MW485.88 g/mol
LogP6.77
Rot. Bonds8

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

bis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+) (PubChem CID 139130802) has the molecular formula C22H46N6Zr and a molecular weight of 485.88 g/mol. Its IUPAC name is bis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+).

Molecular Properties

Compound Namebis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)
PubChem CID139130802
Molecular FormulaC22H46N6Zr
Molecular Weight485.88 g/mol
Exact Mass484.28
IUPAC Namebis(diethylazanide);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.CC[N-]CC.CC[N-]CC.[Zr+4]
InChIInChI=1S/2C7H13N2.2C4H10N.Zr/c2*1-6(8-3)5-7(2)9-4;2*1-3-5-4-2;/h2*5H,1-4H3;2*3-4H2,1-2H3;/q4*-1;+4/b2*6-5-,9-7+;;;
InChIKeyGAUKIJKRDAOLAP-VSPACQEASA-N
XLogP6.77
TPSA81.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.88
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 139102046
CID 139102046
CID 139102048
CID 139102048
CID 139102050
CID 139102050
bis[2-(isopropylamino)-4-(isopropylimino)-pent-2-ene-N,N'] palladium(ii)
CID 139104906
dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 139121717
copper bis(methyl-[(Z)-4-(2-methylpropylimino)pent-2-en-2-yl]azanide)
CID 139121718
Bis(4-N-methylimino-2-N-methylamino-2-pentene)bis(dimethylamido) zirconium(IV)
CID 139130801
manganese(2+);bis(propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide)
CID 162407548
tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)
CID 59137868
tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 59137871
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
1,5,7-Tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene
CID 123778578

Frequently Asked Questions

What is the IUPAC name of bis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)?
The IUPAC name of bis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+) (CID 139130802) is bis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+).
What is the SMILES notation for bis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)?
The canonical SMILES for bis(diethylazanide);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.CC[N-]CC.CC[N-]CC.[Zr+4].
What is the InChIKey of bis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)?
The InChIKey is GAUKIJKRDAOLAP-VSPACQEASA-N. The full InChI is InChI=1S/2C7H13N2.2C4H10N.Zr/c2*1-6(8-3)5-7(2)9-4;2*1-3-5-4-2;/h2*5H,1-4H3;2*3-4H2,1-2H3;/q4*-1;+4/b2*6-5-,9-7+;;;.
What are the key properties of bis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+)?
bis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+) has a molecular weight of 485.88 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylazanide);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide);zirconium(4+) is sourced from PubChem (CID 139130802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).