bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)

C32H66N4O2Ru — CID 154626212

IUPACbis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)
SMILESCCC(C)(C)[N-]C([N-]C(C)(C)CC)C(C)(C)C.CCC(C)(C)[N-]C([N-]C(C)(C)CC)C(C)(C)C.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C15H32N2.2CHO.Ru/c2*1-10-14(6,7)16-12(13(3,4)5)17-15(8,9)11-2;2*1-2;/h2*12H,10-11H2,1-9H3;2*1H;/q2*-2;2*-1;+6
InChIKeyWOQLMIPKWWBAIG-UHFFFAOYSA-N
MW639.98 g/mol
LogP10.42
Rot. Bonds12

About bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)

bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+) (PubChem CID 154626212) has the molecular formula C32H66N4O2Ru and a molecular weight of 639.98 g/mol. Its IUPAC name is bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+).

Molecular Properties

Compound Namebis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)
PubChem CID154626212
Molecular FormulaC32H66N4O2Ru
Molecular Weight639.98 g/mol
Exact Mass640.42
IUPAC Namebis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)
SMILESCCC(C)(C)[N-]C([N-]C(C)(C)CC)C(C)(C)C.CCC(C)(C)[N-]C([N-]C(C)(C)CC)C(C)(C)C.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C15H32N2.2CHO.Ru/c2*1-10-14(6,7)16-12(13(3,4)5)17-15(8,9)11-2;2*1-2;/h2*12H,10-11H2,1-9H3;2*1H;/q2*-2;2*-1;+6
InChIKeyWOQLMIPKWWBAIG-UHFFFAOYSA-N
XLogP10.42
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.98
LogP ≤ 510.42
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

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
methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)
CID 154626258
bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)
CID 154626467
bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)
CID 154626487
bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
CID 154626385
magnesium bis(2,2-dimethylpropyl(2-methylbutan-2-yl)azanide)
CID 56654810
bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide
CID 162467903
(3R)-5,5-difluoro-2,3-dimethylheptane
CID 118133528
2-methyl-N-(3-methylbutan-2-yl)butan-2-amine
CID 43824441
bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane
CID 162467971
(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884

Frequently Asked Questions

What is the IUPAC name of bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)?
The IUPAC name of bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+) (CID 154626212) is bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+).
What is the SMILES notation for bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)?
The canonical SMILES for bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+) is CCC(C)(C)[N-]C([N-]C(C)(C)CC)C(C)(C)C.CCC(C)(C)[N-]C([N-]C(C)(C)CC)C(C)(C)C.[CH-]=O.[CH-]=O.[Ru+6].
What is the InChIKey of bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)?
The InChIKey is WOQLMIPKWWBAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H32N2.2CHO.Ru/c2*1-10-14(6,7)16-12(13(3,4)5)17-15(8,9)11-2;2*1-2;/h2*12H,10-11H2,1-9H3;2*1H;/q2*-2;2*-1;+6.
What are the key properties of bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)?
bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+) has a molecular weight of 639.98 g/mol, XLogP of 10.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+) is sourced from PubChem (CID 154626212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).