cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride

C10H20Cl2N2O4Pt — CID 10051603

IUPACcyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride
SMILESCC(=O)[O-].CC(=O)[O-].NC1CCC(N)CC1.[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/C6H14N2.2C2H4O2.2ClH.Pt/c7-5-1-2-6(8)4-3-5;2*1-2(3)4;;;/h5-6H,1-4,7-8H2;2*1H3,(H,3,4);2*1H;/q;;;;;+4/p-4
InChIKeyCFFBQQPYWNEYGY-UHFFFAOYSA-J
MW498.26 g/mol
LogP-8.27
Rot. Bonds

About cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride

cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride (PubChem CID 10051603) has the molecular formula C10H20Cl2N2O4Pt and a molecular weight of 498.26 g/mol. Its IUPAC name is cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride.

Molecular Properties

Compound Namecyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride
PubChem CID10051603
Molecular FormulaC10H20Cl2N2O4Pt
Molecular Weight498.26 g/mol
Exact Mass497.04
IUPAC Namecyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride
SMILESCC(=O)[O-].CC(=O)[O-].NC1CCC(N)CC1.[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/C6H14N2.2C2H4O2.2ClH.Pt/c7-5-1-2-6(8)4-3-5;2*1-2(3)4;;;/h5-6H,1-4,7-8H2;2*1H3,(H,3,4);2*1H;/q;;;;;+4/p-4
InChIKeyCFFBQQPYWNEYGY-UHFFFAOYSA-J
XLogP-8.27
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.26
LogP ≤ 5-8.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride?
The IUPAC name of cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride (CID 10051603) is cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride.
What is the SMILES notation for cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride?
The canonical SMILES for cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride is CC(=O)[O-].CC(=O)[O-].NC1CCC(N)CC1.[Cl-].[Cl-].[Pt+4].
What is the InChIKey of cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride?
The InChIKey is CFFBQQPYWNEYGY-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H14N2.2C2H4O2.2ClH.Pt/c7-5-1-2-6(8)4-3-5;2*1-2(3)4;;;/h5-6H,1-4,7-8H2;2*1H3,(H,3,4);2*1H;/q;;;;;+4/p-4.
What are the key properties of cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride?
cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride has a molecular weight of 498.26 g/mol, XLogP of -8.27, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride is sourced from PubChem (CID 10051603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).