bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+)

C18H38N4O2Ru — CID 154626318

IUPACbis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+)
SMILESCCCCC([N-]C)[N-]CC.CCCCC([N-]C)[N-]CC.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C8H18N2.2CHO.Ru/c2*1-4-6-7-8(9-3)10-5-2;2*1-2;/h2*8H,4-7H2,1-3H3;2*1H;/q2*-2;2*-1;+6
InChIKeyDHKGBPHOEXSOHL-UHFFFAOYSA-N
MW443.60 g/mol
LogP5.25
Rot. Bonds12

About bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+)

bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+) (PubChem CID 154626318) has the molecular formula C18H38N4O2Ru and a molecular weight of 443.60 g/mol. Its IUPAC name is bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+).

Molecular Properties

Compound Namebis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+)
PubChem CID154626318
Molecular FormulaC18H38N4O2Ru
Molecular Weight443.60 g/mol
Exact Mass444.20
IUPAC Namebis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+)
SMILESCCCCC([N-]C)[N-]CC.CCCCC([N-]C)[N-]CC.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C8H18N2.2CHO.Ru/c2*1-4-6-7-8(9-3)10-5-2;2*1-2;/h2*8H,4-7H2,1-3H3;2*1H;/q2*-2;2*-1;+6
InChIKeyDHKGBPHOEXSOHL-UHFFFAOYSA-N
XLogP5.25
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.60
LogP ≤ 55.25
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-methylazanidylbutyl)azanide);ruthenium(6+)
CID 154626171
methanone;bis(methyl(1-propylazanidylpropyl)azanide);ruthenium(6+)
CID 154626406
ethyl(heptan-3-yl)azanide;tantalum
CID 174866359
5,7-diethylundecan-6-ol
CID 89253066
icosane-5,10,16-triamine
CID 88870264
1,1-diphosphonohexan-2-ylphosphonic acid
CID 173086475
tributyl(methyl)phosphanium
CID 2760115
tetrabutylphosphanium;tin(4+)
CID 160650774
[(2R)-2-aminohexyl] acetate
CID 15691424
2-methylhexane;propane
CID 143695748
dibutyl-ethyl-methylphosphanium
CID 58444360
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303

Frequently Asked Questions

What is the IUPAC name of bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+)?
The IUPAC name of bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+) (CID 154626318) is bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+).
What is the SMILES notation for bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+)?
The canonical SMILES for bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+) is CCCCC([N-]C)[N-]CC.CCCCC([N-]C)[N-]CC.[CH-]=O.[CH-]=O.[Ru+6].
What is the InChIKey of bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+)?
The InChIKey is DHKGBPHOEXSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N2.2CHO.Ru/c2*1-4-6-7-8(9-3)10-5-2;2*1-2;/h2*8H,4-7H2,1-3H3;2*1H;/q2*-2;2*-1;+6.
What are the key properties of bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+)?
bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+) has a molecular weight of 443.60 g/mol, XLogP of 5.25, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+) is sourced from PubChem (CID 154626318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).