tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene

C14H28N3Ta-3 — CID 59815250

IUPACtert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene
SMILESC=C[CH2-].CC(C)(C)[N-]/C=C\[N-]C(C)(C)C.CN=[Ta]
InChIInChI=1S/C10H20N2.C3H5.CH3N.Ta/c1-9(2,3)11-7-8-12-10(4,5)6;1-3-2;1-2;/h7-8H,1-6H3;3H,1-2H2;1H3;/q-2;-1;;/b8-7-;;;
InChIKeySUWUERFCMNKZJS-IRYVOTIRSA-N
MW419.35 g/mol
LogP5.16
Rot. Bonds2

About tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene

tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene (PubChem CID 59815250) has the molecular formula C14H28N3Ta-3 and a molecular weight of 419.35 g/mol. Its IUPAC name is tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene.

Molecular Properties

Compound Nametert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene
PubChem CID59815250
Molecular FormulaC14H28N3Ta-3
Molecular Weight419.35 g/mol
Exact Mass419.18
IUPAC Nametert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene
SMILESC=C[CH2-].CC(C)(C)[N-]/C=C\[N-]C(C)(C)C.CN=[Ta]
InChIInChI=1S/C10H20N2.C3H5.CH3N.Ta/c1-9(2,3)11-7-8-12-10(4,5)6;1-3-2;1-2;/h7-8H,1-6H3;3H,1-2H2;1H3;/q-2;-1;;/b8-7-;;;
InChIKeySUWUERFCMNKZJS-IRYVOTIRSA-N
XLogP5.16
TPSA40.56 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 55.16
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-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene?
The IUPAC name of tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene (CID 59815250) is tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene.
What is the SMILES notation for tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene?
The canonical SMILES for tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene is C=C[CH2-].CC(C)(C)[N-]/C=C\[N-]C(C)(C)C.CN=[Ta].
What is the InChIKey of tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene?
The InChIKey is SUWUERFCMNKZJS-IRYVOTIRSA-N. The full InChI is InChI=1S/C10H20N2.C3H5.CH3N.Ta/c1-9(2,3)11-7-8-12-10(4,5)6;1-3-2;1-2;/h7-8H,1-6H3;3H,1-2H2;1H3;/q-2;-1;;/b8-7-;;;.
What are the key properties of tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene?
tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide;methyliminotantalum;prop-1-ene has a molecular weight of 419.35 g/mol, XLogP of 5.16, 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;methyliminotantalum;prop-1-ene is sourced from PubChem (CID 59815250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).