methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)

C28H58N4O2Ru — CID 154626258

IUPACmethanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)
SMILESCCC(C)C([N-]C(C)C)[N-]C(C)(C)CC.CCC(C)C([N-]C(C)C)[N-]C(C)(C)CC.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C13H28N2.2CHO.Ru/c2*1-8-11(5)12(14-10(3)4)15-13(6,7)9-2;2*1-2;/h2*10-12H,8-9H2,1-7H3;2*1H;/q2*-2;2*-1;+6
InChIKeyAUBLAPKBLPCGES-UHFFFAOYSA-N
MW583.87 g/mol
LogP8.86
Rot. Bonds14

About methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)

methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+) (PubChem CID 154626258) has the molecular formula C28H58N4O2Ru and a molecular weight of 583.87 g/mol. Its IUPAC name is methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+).

Molecular Properties

Compound Namemethanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)
PubChem CID154626258
Molecular FormulaC28H58N4O2Ru
Molecular Weight583.87 g/mol
Exact Mass584.36
IUPAC Namemethanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)
SMILESCCC(C)C([N-]C(C)C)[N-]C(C)(C)CC.CCC(C)C([N-]C(C)C)[N-]C(C)(C)CC.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C13H28N2.2CHO.Ru/c2*1-8-11(5)12(14-10(3)4)15-13(6,7)9-2;2*1-2;/h2*10-12H,8-9H2,1-7H3;2*1H;/q2*-2;2*-1;+6
InChIKeyAUBLAPKBLPCGES-UHFFFAOYSA-N
XLogP8.86
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.87
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)
CID 154626212
methanone;bis(methyl-[1-(2-methylbutan-2-ylazanidyl)ethyl]azanide);ruthenium(6+)
CID 154626481
bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)
CID 154626208
bis(2-methylbutan-2-ylimino)molybdenum;carbanide;(2-methyl-1-propan-2-ylazanidylbutyl)-propan-2-ylazanide
CID 162467949
bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)
CID 154626159
bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
CID 154626385
methanone;bis(propan-2-yl(1-propan-2-ylazanidylpropyl)azanide);ruthenium(6+)
CID 154626137
bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)
CID 154626467
methanone;bis(methyl(1-propan-2-ylazanidylpropyl)azanide);ruthenium(6+)
CID 154626285
bis(di(propan-2-yl)azanide);molybdenum(2+)
CID 141200548
bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide
CID 162467898
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895

Frequently Asked Questions

What is the IUPAC name of methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)?
The IUPAC name of methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+) (CID 154626258) is methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+).
What is the SMILES notation for methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)?
The canonical SMILES for methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+) is CCC(C)C([N-]C(C)C)[N-]C(C)(C)CC.CCC(C)C([N-]C(C)C)[N-]C(C)(C)CC.[CH-]=O.[CH-]=O.[Ru+6].
What is the InChIKey of methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)?
The InChIKey is AUBLAPKBLPCGES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H28N2.2CHO.Ru/c2*1-8-11(5)12(14-10(3)4)15-13(6,7)9-2;2*1-2;/h2*10-12H,8-9H2,1-7H3;2*1H;/q2*-2;2*-1;+6.
What are the key properties of methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)?
methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+) has a molecular weight of 583.87 g/mol, XLogP of 8.86, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+) is sourced from PubChem (CID 154626258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).