tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide)

C13H26N3Nb-3 — CID 162681920

IUPACtert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide)
SMILESCC(C)(C)N=[Nb].C[N-]C.C[N-]C.c1cc[cH-]c1
InChIInChI=1S/C5H5.C4H9N.2C2H6N.Nb/c1-2-4-5-3-1;1-4(2,3)5;2*1-3-2;/h1-5H;1-3H3;2*1-2H3;/q-1;;2*-1;
InChIKeyJDELVKGKJINLJW-UHFFFAOYSA-N
MW317.28 g/mol
LogP4.16
Rot. Bonds

About tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide)

tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide) (PubChem CID 162681920) has the molecular formula C13H26N3Nb-3 and a molecular weight of 317.28 g/mol. Its IUPAC name is tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide).

Molecular Properties

Compound Nametert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide)
PubChem CID162681920
Molecular FormulaC13H26N3Nb-3
Molecular Weight317.28 g/mol
Exact Mass317.12
IUPAC Nametert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide)
SMILESCC(C)(C)N=[Nb].C[N-]C.C[N-]C.c1cc[cH-]c1
InChIInChI=1S/C5H5.C4H9N.2C2H6N.Nb/c1-2-4-5-3-1;1-4(2,3)5;2*1-3-2;/h1-5H;1-3H3;2*1-2H3;/q-1;;2*-1;
InChIKeyJDELVKGKJINLJW-UHFFFAOYSA-N
XLogP4.16
TPSA40.56 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide)?
The IUPAC name of tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide) (CID 162681920) is tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide).
What is the SMILES notation for tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide)?
The canonical SMILES for tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide) is CC(C)(C)N=[Nb].C[N-]C.C[N-]C.c1cc[cH-]c1.
What is the InChIKey of tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide)?
The InChIKey is JDELVKGKJINLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H9N.2C2H6N.Nb/c1-2-4-5-3-1;1-4(2,3)5;2*1-3-2;/h1-5H;1-3H3;2*1-2H3;/q-1;;2*-1;.
What are the key properties of tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide)?
tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide) has a molecular weight of 317.28 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyliminoniobium;cyclopenta-1,3-diene;bis(dimethylazanide) is sourced from PubChem (CID 162681920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).