tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum

C14H29ClN3Ta-2 — CID 58814296

IUPACtert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum
SMILESCC(C)(C)/N=[Ta]\Cl.CC(C)(C)[N-]/C=C\[N-]C(C)(C)C
InChIInChI=1S/C10H20N2.C4H9N.ClH.Ta/c1-9(2,3)11-7-8-12-10(4,5)6;1-4(2,3)5;;/h7-8H,1-6H3;1-3H3;1H;/q-2;;;+1/p-1/b8-7-;;;
InChIKeyJTHSTBMTRABGLM-IRYVOTIRSA-M
MW455.81 g/mol
LogP6.01
Rot. Bonds2

About tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum

tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum (PubChem CID 58814296) has the molecular formula C14H29ClN3Ta-2 and a molecular weight of 455.81 g/mol. Its IUPAC name is tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum.

Molecular Properties

Compound Nametert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum
PubChem CID58814296
Molecular FormulaC14H29ClN3Ta-2
Molecular Weight455.81 g/mol
Exact Mass455.15
IUPAC Nametert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum
SMILESCC(C)(C)/N=[Ta]\Cl.CC(C)(C)[N-]/C=C\[N-]C(C)(C)C
InChIInChI=1S/C10H20N2.C4H9N.ClH.Ta/c1-9(2,3)11-7-8-12-10(4,5)6;1-4(2,3)5;;/h7-8H,1-6H3;1-3H3;1H;/q-2;;;+1/p-1/b8-7-;;;
InChIKeyJTHSTBMTRABGLM-IRYVOTIRSA-M
XLogP6.01
TPSA40.56 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.81
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum?
The IUPAC name of tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum (CID 58814296) is tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum.
What is the SMILES notation for tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum?
The canonical SMILES for tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum is CC(C)(C)/N=[Ta]\Cl.CC(C)(C)[N-]/C=C\[N-]C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum?
The InChIKey is JTHSTBMTRABGLM-IRYVOTIRSA-M. The full InChI is InChI=1S/C10H20N2.C4H9N.ClH.Ta/c1-9(2,3)11-7-8-12-10(4,5)6;1-4(2,3)5;;/h7-8H,1-6H3;1-3H3;1H;/q-2;;;+1/p-1/b8-7-;;;.
What are the key properties of tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum?
tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum has a molecular weight of 455.81 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;tert-butylimino(chloro)tantalum is sourced from PubChem (CID 58814296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).