bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide)

C18H42MoN4 — CID 140839971

IUPACbis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide)
SMILESCC(C)(C)N=[Mo+2]=NC(C)(C)C.C[N-]CC(C)C.C[N-]CC(C)C
InChIInChI=1S/2C5H12N.2C4H9N.Mo/c2*1-5(2)4-6-3;2*1-4(2,3)5;/h2*5H,4H2,1-3H3;2*1-3H3;/q2*-1;;;+2
InChIKeyBPIJHPKMCHFRKU-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.32
Rot. Bonds4

About bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide)

bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide) (PubChem CID 140839971) has the molecular formula C18H42MoN4 and a molecular weight of 410.50 g/mol. Its IUPAC name is bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide).

Molecular Properties

Compound Namebis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide)
PubChem CID140839971
Molecular FormulaC18H42MoN4
Molecular Weight410.50 g/mol
Exact Mass412.25
IUPAC Namebis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide)
SMILESCC(C)(C)N=[Mo+2]=NC(C)(C)C.C[N-]CC(C)C.C[N-]CC(C)C
InChIInChI=1S/2C5H12N.2C4H9N.Mo/c2*1-5(2)4-6-3;2*1-4(2,3)5;/h2*5H,4H2,1-3H3;2*1-3H3;/q2*-1;;;+2
InChIKeyBPIJHPKMCHFRKU-UHFFFAOYSA-N
XLogP6.32
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(tert-butylimino)molybdenum(2+);ethyl(methyl)azanide;methyl(propan-2-yl)azanide
CID 140839998
methyl(2-methylpropyl)azanide;tungsten
CID 59806957
bis(propan-2-ylimino)molybdenum(2+);bis(dimethylazanide)
CID 169227251
bis(2-methylbutan-2-ylimino)molybdenum(2+);ethyl(propyl)azanide
CID 140839947
bis(bis(2-methylpropyl)azanide);titanium(4+);dichloride
CID 160744441
bis(2-methylpropyl)azanide;titanium;hydrochloride
CID 174409370
tert-butyl(1-ethylazanidylethyl)azanide;tris(dimethylazanide);titanium
CID 153316686
N-tert-butyl-2,6-dimethylheptan-4-imine
CID 155787750
tert-butyl (2S)-4-hydroxy-2-(2-methylpropyl)-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 139059102
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
dimethylazanide;ethyl(methyl)azanide;yttrium
CID 58308748

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide)?
The IUPAC name of bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide) (CID 140839971) is bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide).
What is the SMILES notation for bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide)?
The canonical SMILES for bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide) is CC(C)(C)N=[Mo+2]=NC(C)(C)C.C[N-]CC(C)C.C[N-]CC(C)C.
What is the InChIKey of bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide)?
The InChIKey is BPIJHPKMCHFRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12N.2C4H9N.Mo/c2*1-5(2)4-6-3;2*1-4(2,3)5;/h2*5H,4H2,1-3H3;2*1-3H3;/q2*-1;;;+2.
What are the key properties of bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide)?
bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide) has a molecular weight of 410.50 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylimino)molybdenum(2+);bis(methyl(2-methylpropyl)azanide) is sourced from PubChem (CID 140839971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).