bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide

C22H49MoN4-3 — CID 162467949

IUPACbis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide
SMILESCCC(C)(C)N=[Mo]=NC(C)(C)CC.CCC(C)C([N-]C(C)C)[N-]C(C)C.[CH3-]
InChIInChI=1S/C11H24N2.2C5H11N.CH3.Mo/c1-7-10(6)11(12-8(2)3)13-9(4)5;2*1-4-5(2,3)6;;/h8-11H,7H2,1-6H3;2*4H2,1-3H3;1H3;/q-2;;;-1;
InChIKeyUJDYPFMGKDVKFH-UHFFFAOYSA-N
MW465.60 g/mol
LogP8.19
Rot. Bonds10

About bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide

bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide (PubChem CID 162467949) has the molecular formula C22H49MoN4-3 and a molecular weight of 465.60 g/mol. Its IUPAC name is bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide.

Molecular Properties

Compound Namebis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide
PubChem CID162467949
Molecular FormulaC22H49MoN4-3
Molecular Weight465.60 g/mol
Exact Mass467.30
IUPAC Namebis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide
SMILESCCC(C)(C)N=[Mo]=NC(C)(C)CC.CCC(C)C([N-]C(C)C)[N-]C(C)C.[CH3-]
InChIInChI=1S/C11H24N2.2C5H11N.CH3.Mo/c1-7-10(6)11(12-8(2)3)13-9(4)5;2*1-4-5(2,3)6;;/h8-11H,7H2,1-6H3;2*4H2,1-3H3;1H3;/q-2;;;-1;
InChIKeyUJDYPFMGKDVKFH-UHFFFAOYSA-N
XLogP8.19
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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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Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide?
The IUPAC name of bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide (CID 162467949) is bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide.
What is the SMILES notation for bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide?
The canonical SMILES for bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide is CCC(C)(C)N=[Mo]=NC(C)(C)CC.CCC(C)C([N-]C(C)C)[N-]C(C)C.[CH3-].
What is the InChIKey of bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide?
The InChIKey is UJDYPFMGKDVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.2C5H11N.CH3.Mo/c1-7-10(6)11(12-8(2)3)13-9(4)5;2*1-4-5(2,3)6;;/h8-11H,7H2,1-6H3;2*4H2,1-3H3;1H3;/q-2;;;-1;.
What are the key properties of bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide?
bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide has a molecular weight of 465.60 g/mol, XLogP of 8.19, 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;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide is sourced from PubChem (CID 162467949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).