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

C17H39N5Zr — CID 140545989

IUPACtris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)
SMILESC/C(=C/C(C)=N/C(C)C)[N-]C(C)C.C[N-]C.C[N-]C.C[N-]C.[Zr+4]
InChIInChI=1S/C11H21N2.3C2H6N.Zr/c1-8(2)12-10(5)7-11(6)13-9(3)4;3*1-3-2;/h7-9H,1-6H3;3*1-2H3;/q4*-1;+4/b10-7-,13-11+;;;;
InChIKeyKIJXUAFXOFAEEZ-NWUBNGMNSA-N
MW404.76 g/mol
LogP5.40
Rot. Bonds4

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

tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+) (PubChem CID 140545989) has the molecular formula C17H39N5Zr and a molecular weight of 404.76 g/mol. Its IUPAC name is tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+).

Molecular Properties

Compound Nametris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)
PubChem CID140545989
Molecular FormulaC17H39N5Zr
Molecular Weight404.76 g/mol
Exact Mass403.23
IUPAC Nametris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)
SMILESC/C(=C/C(C)=N/C(C)C)[N-]C(C)C.C[N-]C.C[N-]C.C[N-]C.[Zr+4]
InChIInChI=1S/C11H21N2.3C2H6N.Zr/c1-8(2)12-10(5)7-11(6)13-9(3)4;3*1-3-2;/h7-9H,1-6H3;3*1-2H3;/q4*-1;+4/b10-7-,13-11+;;;;
InChIKeyKIJXUAFXOFAEEZ-NWUBNGMNSA-N
XLogP5.40
TPSA68.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.76
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
Bis(4-N-methylimino-2-methylamino-2-pentene)bis(ethylamido) zirconium
CID 139130802
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 tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)?
The IUPAC name of tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+) (CID 140545989) is tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+).
What is the SMILES notation for tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)?
The canonical SMILES for tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+) is C/C(=C/C(C)=N/C(C)C)[N-]C(C)C.C[N-]C.C[N-]C.C[N-]C.[Zr+4].
What is the InChIKey of tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)?
The InChIKey is KIJXUAFXOFAEEZ-NWUBNGMNSA-N. The full InChI is InChI=1S/C11H21N2.3C2H6N.Zr/c1-8(2)12-10(5)7-11(6)13-9(3)4;3*1-3-2;/h7-9H,1-6H3;3*1-2H3;/q4*-1;+4/b10-7-,13-11+;;;;.
What are the key properties of tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)?
tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+) has a molecular weight of 404.76 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+) is sourced from PubChem (CID 140545989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).