bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide

C23H51MoN4-3 — CID 162467898

IUPACbis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide
SMILESCCC(C)(C)N=[Mo]=NC(C)(C)CC.CCC([N-]C(C)C)[N-]C(C)C.C[C-](C)C
InChIInChI=1S/C9H20N2.2C5H11N.C4H9.Mo/c1-6-9(10-7(2)3)11-8(4)5;2*1-4-5(2,3)6;1-4(2)3;/h7-9H,6H2,1-5H3;2*4H2,1-3H3;1-3H3;/q-2;;;-1;
InChIKeyQLLUMMBDFQDJQN-UHFFFAOYSA-N
MW479.63 g/mol
LogP8.72
Rot. Bonds9

About bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide

bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide (PubChem CID 162467898) has the molecular formula C23H51MoN4-3 and a molecular weight of 479.63 g/mol. Its IUPAC name is bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide.

Molecular Properties

Compound Namebis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide
PubChem CID162467898
Molecular FormulaC23H51MoN4-3
Molecular Weight479.63 g/mol
Exact Mass481.32
IUPAC Namebis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide
SMILESCCC(C)(C)N=[Mo]=NC(C)(C)CC.CCC([N-]C(C)C)[N-]C(C)C.C[C-](C)C
InChIInChI=1S/C9H20N2.2C5H11N.C4H9.Mo/c1-6-9(10-7(2)3)11-8(4)5;2*1-4-5(2,3)6;1-4(2)3;/h7-9H,6H2,1-5H3;2*4H2,1-3H3;1-3H3;/q-2;;;-1;
InChIKeyQLLUMMBDFQDJQN-UHFFFAOYSA-N
XLogP8.72
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 58.72
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(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide
CID 162467949
methanone;bis(propan-2-yl(1-propan-2-ylazanidylpropyl)azanide);ruthenium(6+)
CID 154626137
bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane
CID 162467971
bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane
CID 162467953
methanone;bis(methyl(1-propan-2-ylazanidylpropyl)azanide);ruthenium(6+)
CID 154626285
methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)
CID 154626258
bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
CID 154626385
bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)
CID 154626159
bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)
CID 154626208
ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium
CID 23418603
bis(di(propan-2-yl)azanide);molybdenum(2+)
CID 141200548
tris(diethylazanide);di(propan-2-yl)azanide;tungsten
CID 87312600

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide?
The IUPAC name of bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide (CID 162467898) is bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide.
What is the SMILES notation for bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide?
The canonical SMILES for bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide is CCC(C)(C)N=[Mo]=NC(C)(C)CC.CCC([N-]C(C)C)[N-]C(C)C.C[C-](C)C.
What is the InChIKey of bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide?
The InChIKey is QLLUMMBDFQDJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.2C5H11N.C4H9.Mo/c1-6-9(10-7(2)3)11-8(4)5;2*1-4-5(2,3)6;1-4(2)3;/h7-9H,6H2,1-5H3;2*4H2,1-3H3;1-3H3;/q-2;;;-1;.
What are the key properties of bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide?
bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide has a molecular weight of 479.63 g/mol, XLogP of 8.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide is sourced from PubChem (CID 162467898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).