bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)

C26H54N4O2Ru — CID 154626208

IUPACbis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)
SMILESCCC([N-]C(C)(C)C)[N-]C(C)(C)CC.CCC([N-]C(C)(C)C)[N-]C(C)(C)CC.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C12H26N2.2CHO.Ru/c2*1-8-10(13-11(3,4)5)14-12(6,7)9-2;2*1-2;/h2*10H,8-9H2,1-7H3;2*1H;/q2*-2;2*-1;+6
InChIKeyBJWVRQJJRZVVBG-UHFFFAOYSA-N
MW555.81 g/mol
LogP8.36
Rot. Bonds10

About bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)

bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+) (PubChem CID 154626208) has the molecular formula C26H54N4O2Ru and a molecular weight of 555.81 g/mol. Its IUPAC name is bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+).

Molecular Properties

Compound Namebis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)
PubChem CID154626208
Molecular FormulaC26H54N4O2Ru
Molecular Weight555.81 g/mol
Exact Mass556.33
IUPAC Namebis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)
SMILESCCC([N-]C(C)(C)C)[N-]C(C)(C)CC.CCC([N-]C(C)(C)C)[N-]C(C)(C)CC.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C12H26N2.2CHO.Ru/c2*1-8-10(13-11(3,4)5)14-12(6,7)9-2;2*1-2;/h2*10H,8-9H2,1-7H3;2*1H;/q2*-2;2*-1;+6
InChIKeyBJWVRQJJRZVVBG-UHFFFAOYSA-N
XLogP8.36
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.81
LogP ≤ 58.36
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
bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)
CID 154626467
methanone;bis(methyl-[1-(2-methylbutan-2-ylazanidyl)ethyl]azanide);ruthenium(6+)
CID 154626481
methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)
CID 154626258
bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
CID 154626385
bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)
CID 154626159
methanone;bis(propan-2-yl(1-propan-2-ylazanidylpropyl)azanide);ruthenium(6+)
CID 154626137
bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)
CID 154626487
methanone;bis(methyl(1-propan-2-ylazanidylpropyl)azanide);ruthenium(6+)
CID 154626285
methanone;bis(methyl(1-propylazanidylpropyl)azanide);ruthenium(6+)
CID 154626406
bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide
CID 162467898
2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide
CID 114291419

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)?
The IUPAC name of bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+) (CID 154626208) is bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+).
What is the SMILES notation for bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)?
The canonical SMILES for bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+) is CCC([N-]C(C)(C)C)[N-]C(C)(C)CC.CCC([N-]C(C)(C)C)[N-]C(C)(C)CC.[CH-]=O.[CH-]=O.[Ru+6].
What is the InChIKey of bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)?
The InChIKey is BJWVRQJJRZVVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H26N2.2CHO.Ru/c2*1-8-10(13-11(3,4)5)14-12(6,7)9-2;2*1-2;/h2*10H,8-9H2,1-7H3;2*1H;/q2*-2;2*-1;+6.
What are the key properties of bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)?
bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+) has a molecular weight of 555.81 g/mol, XLogP of 8.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+) is sourced from PubChem (CID 154626208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).