1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium

C11H20N3Zr- — CID 87388746

IUPAC1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium
SMILESCN(C)C1=[C-]CC(N(C)C)=C1N(C)C.[Zr]
InChIInChI=1S/C11H20N3.Zr/c1-12(2)9-7-8-10(13(3)4)11(9)14(5)6;/h7H2,1-6H3;/q-1;
InChIKeyUPEJPACHSCMOLE-UHFFFAOYSA-N
MW285.53 g/mol
LogP0.97
Rot. Bonds3

About 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium

1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium (PubChem CID 87388746) has the molecular formula C11H20N3Zr- and a molecular weight of 285.53 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium
PubChem CID87388746
Molecular FormulaC11H20N3Zr-
Molecular Weight285.53 g/mol
Exact Mass284.07
IUPAC Name1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium
SMILESCN(C)C1=[C-]CC(N(C)C)=C1N(C)C.[Zr]
InChIInChI=1S/C11H20N3.Zr/c1-12(2)9-7-8-10(13(3)4)11(9)14(5)6;/h7H2,1-6H3;/q-1;
InChIKeyUPEJPACHSCMOLE-UHFFFAOYSA-N
XLogP0.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium?
The IUPAC name of 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium (CID 87388746) is 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium.
What is the SMILES notation for 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium?
The canonical SMILES for 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium is CN(C)C1=[C-]CC(N(C)C)=C1N(C)C.[Zr].
What is the InChIKey of 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium?
The InChIKey is UPEJPACHSCMOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3.Zr/c1-12(2)9-7-8-10(13(3)4)11(9)14(5)6;/h7H2,1-6H3;/q-1;.
What are the key properties of 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium?
1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium has a molecular weight of 285.53 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopenta-1,3-diene-1,2,3-triamine;zirconium is sourced from PubChem (CID 87388746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).