tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide)

C12H31N4W-3 — CID 135563859

IUPACtert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide)
SMILESCC(C)(C)N=[W].CC(C)(C)[NH-].C[N-]C.C[N-]C
InChIInChI=1S/C4H10N.C4H9N.2C2H6N.W/c2*1-4(2,3)5;2*1-3-2;/h5H,1-3H3;1-3H3;2*1-2H3;/q-1;;2*-1;
InChIKeyBJCAGXRGXCJMJS-UHFFFAOYSA-N
MW415.25 g/mol
LogP4.59
Rot. Bonds

About tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide)

tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide) (PubChem CID 135563859) has the molecular formula C12H31N4W-3 and a molecular weight of 415.25 g/mol. Its IUPAC name is tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide).

Molecular Properties

Compound Nametert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide)
PubChem CID135563859
Molecular FormulaC12H31N4W-3
Molecular Weight415.25 g/mol
Exact Mass415.21
IUPAC Nametert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide)
SMILESCC(C)(C)N=[W].CC(C)(C)[NH-].C[N-]C.C[N-]C
InChIInChI=1S/C4H10N.C4H9N.2C2H6N.W/c2*1-4(2,3)5;2*1-3-2;/h5H,1-3H3;1-3H3;2*1-2H3;/q-1;;2*-1;
InChIKeyBJCAGXRGXCJMJS-UHFFFAOYSA-N
XLogP4.59
TPSA64.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide)?
The IUPAC name of tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide) (CID 135563859) is tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide).
What is the SMILES notation for tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide)?
The canonical SMILES for tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide) is CC(C)(C)N=[W].CC(C)(C)[NH-].C[N-]C.C[N-]C.
What is the InChIKey of tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide)?
The InChIKey is BJCAGXRGXCJMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N.C4H9N.2C2H6N.W/c2*1-4(2,3)5;2*1-3-2;/h5H,1-3H3;1-3H3;2*1-2H3;/q-1;;2*-1;.
What are the key properties of tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide)?
tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide) has a molecular weight of 415.25 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;tert-butyliminotungsten;bis(dimethylazanide) is sourced from PubChem (CID 135563859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).