carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+)

C16H44N6Zr — CID 158282113

IUPACcarbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+)
SMILESCC(C)NC(NC(C)C)N(C)C.C[N-]C.C[N-]C.C[N-]C.[CH3-].[Zr+4]
InChIInChI=1S/C9H23N3.3C2H6N.CH3.Zr/c1-7(2)10-9(12(5)6)11-8(3)4;3*1-3-2;;/h7-11H,1-6H3;3*1-2H3;1H3;/q;4*-1;+4
InChIKeyGKIJZFVIJMTOTK-UHFFFAOYSA-N
MW411.79 g/mol
LogP3.13
Rot. Bonds5

About carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+)

carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+) (PubChem CID 158282113) has the molecular formula C16H44N6Zr and a molecular weight of 411.79 g/mol. Its IUPAC name is carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+).

Molecular Properties

Compound Namecarbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+)
PubChem CID158282113
Molecular FormulaC16H44N6Zr
Molecular Weight411.79 g/mol
Exact Mass410.27
IUPAC Namecarbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+)
SMILESCC(C)NC(NC(C)C)N(C)C.C[N-]C.C[N-]C.C[N-]C.[CH3-].[Zr+4]
InChIInChI=1S/C9H23N3.3C2H6N.CH3.Zr/c1-7(2)10-9(12(5)6)11-8(3)4;3*1-3-2;;/h7-11H,1-6H3;3*1-2H3;1H3;/q;4*-1;+4
InChIKeyGKIJZFVIJMTOTK-UHFFFAOYSA-N
XLogP3.13
TPSA69.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+) with MolForge

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Related Compounds

CID 87569665
CID 87569665
lithium;sodium;N-propan-2-ylpropan-2-amine;dihydroxide
CID 158295397
carbanide;cyclopentane;tris(dimethylazanide);zirconium(4+)
CID 162293218
N,N-dimethylethanamine;N-propan-2-ylpropan-2-amine
CID 87343596
acetylene;N-propan-2-ylpropan-2-amine
CID 88622285
hydrazine;N-propan-2-ylpropan-2-amine
CID 157069346
lithium;azanide;N-propan-2-ylpropan-2-amine
CID 172803690
1,3-dimethoxy-N-propan-2-ylpropan-2-amine
CID 134479894
N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine
CID 173002149
1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine
CID 123387259
CID 174625889
CID 174625889
nonakis(dimethylazanide);N-methyl-N-oxidomethanamine;oxygen(2-);tris(zirconium(4+))
CID 139118727

Frequently Asked Questions

What is the IUPAC name of carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+)?
The IUPAC name of carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+) (CID 158282113) is carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+).
What is the SMILES notation for carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+)?
The canonical SMILES for carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+) is CC(C)NC(NC(C)C)N(C)C.C[N-]C.C[N-]C.C[N-]C.[CH3-].[Zr+4].
What is the InChIKey of carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+)?
The InChIKey is GKIJZFVIJMTOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3.3C2H6N.CH3.Zr/c1-7(2)10-9(12(5)6)11-8(3)4;3*1-3-2;;/h7-11H,1-6H3;3*1-2H3;1H3;/q;4*-1;+4.
What are the key properties of carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+)?
carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+) has a molecular weight of 411.79 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tris(dimethylazanide);N",N"-dimethyl-N,N'-di(propan-2-yl)methanetriamine;zirconium(4+) is sourced from PubChem (CID 158282113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).