cyclohexane-1,2-diamine;oxalic acid;platinum(2+)

C8H16N2O4Pt+2 — CID 6394767

IUPACcyclohexane-1,2-diamine;oxalic acid;platinum(2+)
SMILESNC1CCCCC1N.O=C(O)C(=O)O.[Pt+2]
InChIInChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2
InChIKeyZROHGHOFXNOHSO-UHFFFAOYSA-N
MW399.30 g/mol
LogP-0.63
Rot. Bonds

About cyclohexane-1,2-diamine;oxalic acid;platinum(2+)

cyclohexane-1,2-diamine;oxalic acid;platinum(2+) (PubChem CID 6394767) has the molecular formula C8H16N2O4Pt+2 and a molecular weight of 399.30 g/mol. Its IUPAC name is cyclohexane-1,2-diamine;oxalic acid;platinum(2+).

Molecular Properties

Compound Namecyclohexane-1,2-diamine;oxalic acid;platinum(2+)
PubChem CID6394767
Molecular FormulaC8H16N2O4Pt+2
Molecular Weight399.30 g/mol
Exact Mass399.07
IUPAC Namecyclohexane-1,2-diamine;oxalic acid;platinum(2+)
SMILESNC1CCCCC1N.O=C(O)C(=O)O.[Pt+2]
InChIInChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2
InChIKeyZROHGHOFXNOHSO-UHFFFAOYSA-N
XLogP-0.63
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine;oxalic acid;platinum(2+)?
The IUPAC name of cyclohexane-1,2-diamine;oxalic acid;platinum(2+) (CID 6394767) is cyclohexane-1,2-diamine;oxalic acid;platinum(2+).
What is the SMILES notation for cyclohexane-1,2-diamine;oxalic acid;platinum(2+)?
The canonical SMILES for cyclohexane-1,2-diamine;oxalic acid;platinum(2+) is NC1CCCCC1N.O=C(O)C(=O)O.[Pt+2].
What is the InChIKey of cyclohexane-1,2-diamine;oxalic acid;platinum(2+)?
The InChIKey is ZROHGHOFXNOHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2.
What are the key properties of cyclohexane-1,2-diamine;oxalic acid;platinum(2+)?
cyclohexane-1,2-diamine;oxalic acid;platinum(2+) has a molecular weight of 399.30 g/mol, XLogP of -0.63, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diamine;oxalic acid;platinum(2+) is sourced from PubChem (CID 6394767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).