tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene

C19H34N3Ta-3 — CID 146818584

IUPACtert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene
SMILESCC(C)(C)N=[Ta].CC(C)(C)[N-]C=C[N-]C(C)(C)C.c1cc[cH-]c1
InChIInChI=1S/C10H20N2.C5H5.C4H9N.Ta/c1-9(2,3)11-7-8-12-10(4,5)6;1-2-4-5-3-1;1-4(2,3)5;/h7-8H,1-6H3;1-5H;1-3H3;/q-2;-1;;
InChIKeyZPMRZRGXEHLANM-UHFFFAOYSA-N
MW485.45 g/mol
LogP6.72
Rot. Bonds2

About tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene

tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene (PubChem CID 146818584) has the molecular formula C19H34N3Ta-3 and a molecular weight of 485.45 g/mol. Its IUPAC name is tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene.

Molecular Properties

Compound Nametert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene
PubChem CID146818584
Molecular FormulaC19H34N3Ta-3
Molecular Weight485.45 g/mol
Exact Mass485.22
IUPAC Nametert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene
SMILESCC(C)(C)N=[Ta].CC(C)(C)[N-]C=C[N-]C(C)(C)C.c1cc[cH-]c1
InChIInChI=1S/C10H20N2.C5H5.C4H9N.Ta/c1-9(2,3)11-7-8-12-10(4,5)6;1-2-4-5-3-1;1-4(2,3)5;/h7-8H,1-6H3;1-5H;1-3H3;/q-2;-1;;
InChIKeyZPMRZRGXEHLANM-UHFFFAOYSA-N
XLogP6.72
TPSA40.56 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.45
LogP ≤ 56.72
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-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene?
The IUPAC name of tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene (CID 146818584) is tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene.
What is the SMILES notation for tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene?
The canonical SMILES for tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene is CC(C)(C)N=[Ta].CC(C)(C)[N-]C=C[N-]C(C)(C)C.c1cc[cH-]c1.
What is the InChIKey of tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene?
The InChIKey is ZPMRZRGXEHLANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C5H5.C4H9N.Ta/c1-9(2,3)11-7-8-12-10(4,5)6;1-2-4-5-3-1;1-4(2,3)5;/h7-8H,1-6H3;1-5H;1-3H3;/q-2;-1;;.
What are the key properties of tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene?
tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene has a molecular weight of 485.45 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-tert-butylazanidylethenyl)azanide;tert-butyliminotantalum;cyclopenta-1,3-diene is sourced from PubChem (CID 146818584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).