butylazanide;platinum(4+);propanedioate

C11H22N2O4Pt — CID 131884572

IUPACbutylazanide;platinum(4+);propanedioate
SMILESCCCC[NH-].CCCC[NH-].O=C([O-])CC(=O)[O-].[Pt+4]
InChIInChI=1S/2C4H10N.C3H4O4.Pt/c2*1-2-3-4-5;4-2(5)1-3(6)7;/h2*5H,2-4H2,1H3;1H2,(H,4,5)(H,6,7);/q2*-1;;+4/p-2
InChIKeyUOMJCSXKWJQFOO-UHFFFAOYSA-L
MW441.39 g/mol
LogP0.55
Rot. Bonds6

About butylazanide;platinum(4+);propanedioate

butylazanide;platinum(4+);propanedioate (PubChem CID 131884572) has the molecular formula C11H22N2O4Pt and a molecular weight of 441.39 g/mol. Its IUPAC name is butylazanide;platinum(4+);propanedioate.

Molecular Properties

Compound Namebutylazanide;platinum(4+);propanedioate
PubChem CID131884572
Molecular FormulaC11H22N2O4Pt
Molecular Weight441.39 g/mol
Exact Mass441.12
IUPAC Namebutylazanide;platinum(4+);propanedioate
SMILESCCCC[NH-].CCCC[NH-].O=C([O-])CC(=O)[O-].[Pt+4]
InChIInChI=1S/2C4H10N.C3H4O4.Pt/c2*1-2-3-4-5;4-2(5)1-3(6)7;/h2*5H,2-4H2,1H3;1H2,(H,4,5)(H,6,7);/q2*-1;;+4/p-2
InChIKeyUOMJCSXKWJQFOO-UHFFFAOYSA-L
XLogP0.55
TPSA127.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.39
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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butylazanide;zirconium
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CID 141132679
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bis(neodymium(3+));tris(propanedioate)
CID 159312291
hydron;propanedioate
CID 23511544
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Frequently Asked Questions

What is the IUPAC name of butylazanide;platinum(4+);propanedioate?
The IUPAC name of butylazanide;platinum(4+);propanedioate (CID 131884572) is butylazanide;platinum(4+);propanedioate.
What is the SMILES notation for butylazanide;platinum(4+);propanedioate?
The canonical SMILES for butylazanide;platinum(4+);propanedioate is CCCC[NH-].CCCC[NH-].O=C([O-])CC(=O)[O-].[Pt+4].
What is the InChIKey of butylazanide;platinum(4+);propanedioate?
The InChIKey is UOMJCSXKWJQFOO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H10N.C3H4O4.Pt/c2*1-2-3-4-5;4-2(5)1-3(6)7;/h2*5H,2-4H2,1H3;1H2,(H,4,5)(H,6,7);/q2*-1;;+4/p-2.
What are the key properties of butylazanide;platinum(4+);propanedioate?
butylazanide;platinum(4+);propanedioate has a molecular weight of 441.39 g/mol, XLogP of 0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butylazanide;platinum(4+);propanedioate is sourced from PubChem (CID 131884572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).