bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide

C22H49MoN4-3 — CID 162467903

IUPACbis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide
SMILESCC(C)(C)N=[Mo]=NC(C)(C)C.CC(C)(C)[N-]C([N-]C(C)(C)C)C(C)(C)C.[CH3-]
InChIInChI=1S/C13H28N2.2C4H9N.CH3.Mo/c1-11(2,3)10(14-12(4,5)6)15-13(7,8)9;2*1-4(2,3)5;;/h10H,1-9H3;2*1-3H3;1H3;/q-2;;;-1;
InChIKeyOFRIYGUXHBHSPT-UHFFFAOYSA-N
MW465.60 g/mol
LogP8.19
Rot. Bonds2

About bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide

bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide (PubChem CID 162467903) has the molecular formula C22H49MoN4-3 and a molecular weight of 465.60 g/mol. Its IUPAC name is bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide.

Molecular Properties

Compound Namebis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide
PubChem CID162467903
Molecular FormulaC22H49MoN4-3
Molecular Weight465.60 g/mol
Exact Mass467.30
IUPAC Namebis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide
SMILESCC(C)(C)N=[Mo]=NC(C)(C)C.CC(C)(C)[N-]C([N-]C(C)(C)C)C(C)(C)C.[CH3-]
InChIInChI=1S/C13H28N2.2C4H9N.CH3.Mo/c1-11(2,3)10(14-12(4,5)6)15-13(7,8)9;2*1-4(2,3)5;;/h10H,1-9H3;2*1-3H3;1H3;/q-2;;;-1;
InChIKeyOFRIYGUXHBHSPT-UHFFFAOYSA-N
XLogP8.19
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane
CID 162467953
bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane
CID 162467971
bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)
CID 154626212
bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide
CID 162467949
bis(tert-butyl(1-tert-butylazanidylethyl)azanide);nickel
CID 140639500
tert-butyl(1-tert-butylazanidylpropan-2-yl)azanide;carbanide;hafnium(4+)
CID 169281312
bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide
CID 162467898
bis(tert-butyl-(tert-butyldiazenyl)azanide);cobalt(2+)
CID 155649796
ditert-butyldiazene;dihydrochloride
CID 172805656
bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
CID 154626385
tert-butyl-[3-(tert-butylamino)-1,4-bis(tert-butylimino)butan-2-yl]azanide
CID 102390981
3,3-dimethylbutan-2-ylphosphane
CID 57029329

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide?
The IUPAC name of bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide (CID 162467903) is bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide.
What is the SMILES notation for bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide?
The canonical SMILES for bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide is CC(C)(C)N=[Mo]=NC(C)(C)C.CC(C)(C)[N-]C([N-]C(C)(C)C)C(C)(C)C.[CH3-].
What is the InChIKey of bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide?
The InChIKey is OFRIYGUXHBHSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.2C4H9N.CH3.Mo/c1-11(2,3)10(14-12(4,5)6)15-13(7,8)9;2*1-4(2,3)5;;/h10H,1-9H3;2*1-3H3;1H3;/q-2;;;-1;.
What are the key properties of bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide?
bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide has a molecular weight of 465.60 g/mol, XLogP of 8.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide is sourced from PubChem (CID 162467903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).