azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate

C6H28Cl2N8O6Pt2 — CID 10078901

IUPACazane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate
SMILESN.N.N.N.NCCCCCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cl-].[Cl-].[Pt+2].[Pt+2]
InChIInChI=1S/C6H16N2.2ClH.2NO3.4H3N.2Pt/c7-5-3-1-2-4-6-8;;;2*2-1(3)4;;;;;;/h1-8H2;2*1H;;;4*1H3;;/q;;;2*-1;;;;;2*+2/p-2
InChIKeyCQSMPTOBTNLVCH-UHFFFAOYSA-L
MW769.40 g/mol
LogP-5.36
Rot. Bonds5

About azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate

azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate (PubChem CID 10078901) has the molecular formula C6H28Cl2N8O6Pt2 and a molecular weight of 769.40 g/mol. Its IUPAC name is azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate.

Molecular Properties

Compound Nameazane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate
PubChem CID10078901
Molecular FormulaC6H28Cl2N8O6Pt2
Molecular Weight769.40 g/mol
Exact Mass768.08
IUPAC Nameazane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate
SMILESN.N.N.N.NCCCCCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cl-].[Cl-].[Pt+2].[Pt+2]
InChIInChI=1S/C6H16N2.2ClH.2NO3.4H3N.2Pt/c7-5-3-1-2-4-6-8;;;2*2-1(3)4;;;;;;/h1-8H2;2*1H;;;4*1H3;;/q;;;2*-1;;;;;2*+2/p-2
InChIKeyCQSMPTOBTNLVCH-UHFFFAOYSA-L
XLogP-5.36
TPSA324.44 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500769.40
LogP ≤ 5-5.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate
CID 11557138
azane;hexane-1,6-diamine;bis(platinum(2+));tetrachloride
CID 10372551
ethane-1,2-diamine;platinum(2+);dinitrate
CID 11406311
azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801
5-nitropentan-1-amine
CID 18987841
ethane-1,2-diamine dinitrate
CID 3015097
silver;tris(ethane-1,2-diamine);nitrate
CID 173442409
tris(nitric acid);tris(octan-1-amine)
CID 173444772
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
azane;butane-1,4-diamine
CID 87378889

Frequently Asked Questions

What is the IUPAC name of azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate?
The IUPAC name of azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate (CID 10078901) is azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate.
What is the SMILES notation for azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate?
The canonical SMILES for azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate is N.N.N.N.NCCCCCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cl-].[Cl-].[Pt+2].[Pt+2].
What is the InChIKey of azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate?
The InChIKey is CQSMPTOBTNLVCH-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H16N2.2ClH.2NO3.4H3N.2Pt/c7-5-3-1-2-4-6-8;;;2*2-1(3)4;;;;;;/h1-8H2;2*1H;;;4*1H3;;/q;;;2*-1;;;;;2*+2/p-2.
What are the key properties of azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate?
azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate has a molecular weight of 769.40 g/mol, XLogP of -5.36, 5 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexane-1,6-diamine;bis(platinum(2+));dichloride;dinitrate is sourced from PubChem (CID 10078901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).