2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate

C7H18N2O4PtS — CID 88731048

IUPAC2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate
SMILESCCC(CC)(CN)CN.O=S(=O)([O-])[O-].[Pt+2]
InChIInChI=1S/C7H18N2.H2O4S.Pt/c1-3-7(4-2,5-8)6-9;1-5(2,3)4;/h3-6,8-9H2,1-2H3;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyXHQFKMOWFLMGBQ-UHFFFAOYSA-L
MW421.38 g/mol
LogP-0.63
Rot. Bonds4

About 2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate

2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate (PubChem CID 88731048) has the molecular formula C7H18N2O4PtS and a molecular weight of 421.38 g/mol. Its IUPAC name is 2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate.

Molecular Properties

Compound Name2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate
PubChem CID88731048
Molecular FormulaC7H18N2O4PtS
Molecular Weight421.38 g/mol
Exact Mass421.06
IUPAC Name2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate
SMILESCCC(CC)(CN)CN.O=S(=O)([O-])[O-].[Pt+2]
InChIInChI=1S/C7H18N2.H2O4S.Pt/c1-3-7(4-2,5-8)6-9;1-5(2,3)4;/h3-6,8-9H2,1-2H3;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyXHQFKMOWFLMGBQ-UHFFFAOYSA-L
XLogP-0.63
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate?
The IUPAC name of 2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate (CID 88731048) is 2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate.
What is the SMILES notation for 2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate?
The canonical SMILES for 2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate is CCC(CC)(CN)CN.O=S(=O)([O-])[O-].[Pt+2].
What is the InChIKey of 2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate?
The InChIKey is XHQFKMOWFLMGBQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H18N2.H2O4S.Pt/c1-3-7(4-2,5-8)6-9;1-5(2,3)4;/h3-6,8-9H2,1-2H3;(H2,1,2,3,4);/q;;+2/p-2.
What are the key properties of 2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate?
2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate has a molecular weight of 421.38 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylpropane-1,3-diamine;platinum(2+);sulfate is sourced from PubChem (CID 88731048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).