bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide

C18H42MoN4 — CID 140840015

IUPACbis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide
SMILESCCC(C)(C)N=[Mo+2]=NC(C)(C)CC.CC[N-]C.C[N-]C(C)(C)C
InChIInChI=1S/C5H12N.2C5H11N.C3H8N.Mo/c1-5(2,3)6-4;2*1-4-5(2,3)6;1-3-4-2;/h1-4H3;2*4H2,1-3H3;3H2,1-2H3;/q-1;;;-1;+2
InChIKeyOPDFCLZJKALFHV-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.61
Rot. Bonds5

About bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide

bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide (PubChem CID 140840015) has the molecular formula C18H42MoN4 and a molecular weight of 410.50 g/mol. Its IUPAC name is bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide.

Molecular Properties

Compound Namebis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide
PubChem CID140840015
Molecular FormulaC18H42MoN4
Molecular Weight410.50 g/mol
Exact Mass412.25
IUPAC Namebis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide
SMILESCCC(C)(C)N=[Mo+2]=NC(C)(C)CC.CC[N-]C.C[N-]C(C)(C)C
InChIInChI=1S/C5H12N.2C5H11N.C3H8N.Mo/c1-5(2,3)6-4;2*1-4-5(2,3)6;1-3-4-2;/h1-4H3;2*4H2,1-3H3;3H2,1-2H3;/q-1;;;-1;+2
InChIKeyOPDFCLZJKALFHV-UHFFFAOYSA-N
XLogP6.61
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide?
The IUPAC name of bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide (CID 140840015) is bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide.
What is the SMILES notation for bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide?
The canonical SMILES for bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide is CCC(C)(C)N=[Mo+2]=NC(C)(C)CC.CC[N-]C.C[N-]C(C)(C)C.
What is the InChIKey of bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide?
The InChIKey is OPDFCLZJKALFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N.2C5H11N.C3H8N.Mo/c1-5(2,3)6-4;2*1-4-5(2,3)6;1-3-4-2;/h1-4H3;2*4H2,1-3H3;3H2,1-2H3;/q-1;;;-1;+2.
What are the key properties of bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide?
bis(2-methylbutan-2-ylimino)molybdenum(2+);tert-butyl(methyl)azanide;ethyl(methyl)azanide has a molecular weight of 410.50 g/mol, XLogP of 6.61, 5 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+);tert-butyl(methyl)azanide;ethyl(methyl)azanide is sourced from PubChem (CID 140840015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).