bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide

C20H46MoN4 — CID 140839947

IUPACbis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide
SMILESCCC(C)(C)N=[Mo+2]=NC(C)(C)CC.CCC[N-]CC.CCC[N-]CC
InChIInChI=1S/2C5H11N.2C5H12N.Mo/c2*1-4-5(2,3)6;2*1-3-5-6-4-2;/h2*4H2,1-3H3;2*3-5H2,1-2H3;/q;;2*-1;+2
InChIKeyHTTHBSKLUVGCFH-UHFFFAOYSA-N
MW438.56 g/mol
LogP7.39
Rot. Bonds10

About bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide

bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide (PubChem CID 140839947) has the molecular formula C20H46MoN4 and a molecular weight of 438.56 g/mol. Its IUPAC name is bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide.

Molecular Properties

Compound Namebis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide
PubChem CID140839947
Molecular FormulaC20H46MoN4
Molecular Weight438.56 g/mol
Exact Mass440.28
IUPAC Namebis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide
SMILESCCC(C)(C)N=[Mo+2]=NC(C)(C)CC.CCC[N-]CC.CCC[N-]CC
InChIInChI=1S/2C5H11N.2C5H12N.Mo/c2*1-4-5(2,3)6;2*1-3-5-6-4-2;/h2*4H2,1-3H3;2*3-5H2,1-2H3;/q;;2*-1;+2
InChIKeyHTTHBSKLUVGCFH-UHFFFAOYSA-N
XLogP7.39
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide
CID 140840015
ethane;ethyl(propyl)azanide;uranium
CID 166109102
tris(diethylazanide);2-methylbutan-2-yliminoniobium
CID 175814454
dipropylazanide
CID 21226344
bis(dipropylazanide);hafnium(4+);dibromide
CID 159357494
bis(tert-butylimino)molybdenum(2+);ethyl(methyl)azanide;methyl(propan-2-yl)azanide
CID 140839998
trichloro(2-methylbutan-2-ylimino)vanadium
CID 155734899
carbon monoxide;ethyl(2-ethylazanidylethyl)azanide;tungsten
CID 50910320
diethylazanide;ethyliminotantalum
CID 58942953
diethylazanide;nickel
CID 154094168
tetrakis(diethylazanide);tantalum
CID 18421483
zinc bis(diethylazanide)
CID 11042012

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide?
The IUPAC name of bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide (CID 140839947) is bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide.
What is the SMILES notation for bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide?
The canonical SMILES for bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide is CCC(C)(C)N=[Mo+2]=NC(C)(C)CC.CCC[N-]CC.CCC[N-]CC.
What is the InChIKey of bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide?
The InChIKey is HTTHBSKLUVGCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.2C5H12N.Mo/c2*1-4-5(2,3)6;2*1-3-5-6-4-2;/h2*4H2,1-3H3;2*3-5H2,1-2H3;/q;;2*-1;+2.
What are the key properties of bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide?
bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide has a molecular weight of 438.56 g/mol, XLogP of 7.39, 10 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+);ethyl(propyl)azanide is sourced from PubChem (CID 140839947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).