azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride

C12H28Cl2N4O4Pt — CID 10030647

IUPACazane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride
SMILESCCNC(=O)[O-].CCNC(=O)[O-].N.NC1CCCCC1.[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/C6H13N.2C3H7NO2.2ClH.H3N.Pt/c7-6-4-2-1-3-5-6;2*1-2-4-3(5)6;;;;/h6H,1-5,7H2;2*4H,2H2,1H3,(H,5,6);2*1H;1H3;/q;;;;;;+4/p-4
InChIKeyUNKRKDWQRSRKBO-UHFFFAOYSA-J
MW558.36 g/mol
LogP-6.68
Rot. Bonds2

About azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride

azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride (PubChem CID 10030647) has the molecular formula C12H28Cl2N4O4Pt and a molecular weight of 558.36 g/mol. Its IUPAC name is azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride.

Molecular Properties

Compound Nameazane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride
PubChem CID10030647
Molecular FormulaC12H28Cl2N4O4Pt
Molecular Weight558.36 g/mol
Exact Mass557.11
IUPAC Nameazane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride
SMILESCCNC(=O)[O-].CCNC(=O)[O-].N.NC1CCCCC1.[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/C6H13N.2C3H7NO2.2ClH.H3N.Pt/c7-6-4-2-1-3-5-6;2*1-2-4-3(5)6;;;;/h6H,1-5,7H2;2*4H,2H2,1H3,(H,5,6);2*1H;1H3;/q;;;;;;+4/p-4
InChIKeyUNKRKDWQRSRKBO-UHFFFAOYSA-J
XLogP-6.68
TPSA165.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.36
LogP ≤ 5-6.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride?
The IUPAC name of azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride (CID 10030647) is azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride.
What is the SMILES notation for azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride?
The canonical SMILES for azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride is CCNC(=O)[O-].CCNC(=O)[O-].N.NC1CCCCC1.[Cl-].[Cl-].[Pt+4].
What is the InChIKey of azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride?
The InChIKey is UNKRKDWQRSRKBO-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H13N.2C3H7NO2.2ClH.H3N.Pt/c7-6-4-2-1-3-5-6;2*1-2-4-3(5)6;;;;/h6H,1-5,7H2;2*4H,2H2,1H3,(H,5,6);2*1H;1H3;/q;;;;;;+4/p-4.
What are the key properties of azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride?
azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride has a molecular weight of 558.36 g/mol, XLogP of -6.68, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclohexanamine;bis(N-ethylcarbamate);platinum(4+);dichloride is sourced from PubChem (CID 10030647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).