6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate

C16H52Cl2N12O12Pt2-4 — CID 11557138

IUPAC6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate
SMILESN.N.N.N.NCCCCCC[NH2+]CCCC[NH2+]CCCCCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cl-].[Cl-].[Pt].[Pt]
InChIInChI=1S/C16H38N4.2ClH.4NO3.4H3N.2Pt/c17-11-5-1-3-7-13-19-15-9-10-16-20-14-8-4-2-6-12-18;;;4*2-1(3)4;;;;;;/h19-20H,1-18H2;2*1H;;;;;4*1H3;;/q;;;4*-1;;;;;;
InChIKeyJPKLGEMLMKSUJH-UHFFFAOYSA-N
MW1065.73 g/mol
LogP-6.37
Rot. Bonds17

About 6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate

6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate (PubChem CID 11557138) has the molecular formula C16H52Cl2N12O12Pt2-4 and a molecular weight of 1065.73 g/mol. Its IUPAC name is 6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate.

Molecular Properties

Compound Name6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate
PubChem CID11557138
Molecular FormulaC16H52Cl2N12O12Pt2-4
Molecular Weight1065.73 g/mol
Exact Mass1064.25
IUPAC Name6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate
SMILESN.N.N.N.NCCCCCC[NH2+]CCCC[NH2+]CCCCCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cl-].[Cl-].[Pt].[Pt]
InChIInChI=1S/C16H38N4.2ClH.4NO3.4H3N.2Pt/c17-11-5-1-3-7-13-19-15-9-10-16-20-14-8-4-2-6-12-18;;;4*2-1(3)4;;;;;;/h19-20H,1-18H2;2*1H;;;;;4*1H3;;/q;;;4*-1;;;;;;
InChIKeyJPKLGEMLMKSUJH-UHFFFAOYSA-N
XLogP-6.37
TPSA490.06 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.73
LogP ≤ 5-6.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

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

Triplatin Tetranitrate
CID 25117248
Azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate
CID 129861488
Azane;bis(chloroplatinum(1+));bis(hexane-1,6-diamine);platinum(2+);tetranitrate
CID 91825660
Azanide;5-[4-(5-azanidylpentylazaniumyl)butylazaniumyl]pentylazanide;bis(chloroplatinum(1+));tetranitrate
CID 158047675
Azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;bis(chloroplatinum(1+));tetranitrate
CID 160093068
Azanide;bis(6-azanidylhexylazanide);bis(chloroplatinum(1+));platinum(2+);tetranitrate
CID 162012256
Azanide;3-[4-(3-azanidylpropylazaniumyl)butylazaniumyl]propylazanide;bis(chloroplatinum(1+));tetranitrate
CID 169428663
3-Aminopropyl-[4-(3-aminopropylazaniumyl)butyl]azanium;azane;tetrakis(nitric acid);bis(platinum(2+));dichloride
CID 9811806
Azanide;bis(6-azanidylhexylazanide);chloroplatinum;platinum(4+);tetranitrate
CID 9833585
Azanide;chloroplatinum;bis(hexane-1,6-diamine);platinum(4+);tetranitrate
CID 9876975
N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate
CID 11457441
6-Aminohexyl-[2-(6-aminohexylazaniumyl)ethyl]azanium;azane;bis(platinum(2+));dichloride;tetranitrate
CID 11607707

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate?
The IUPAC name of 6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate (CID 11557138) is 6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate.
What is the SMILES notation for 6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate?
The canonical SMILES for 6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate is N.N.N.N.NCCCCCC[NH2+]CCCC[NH2+]CCCCCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cl-].[Cl-].[Pt].[Pt].
What is the InChIKey of 6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate?
The InChIKey is JPKLGEMLMKSUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4.2ClH.4NO3.4H3N.2Pt/c17-11-5-1-3-7-13-19-15-9-10-16-20-14-8-4-2-6-12-18;;;4*2-1(3)4;;;;;;/h19-20H,1-18H2;2*1H;;;;;4*1H3;;/q;;;4*-1;;;;;;.
What are the key properties of 6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate?
6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate has a molecular weight of 1065.73 g/mol, XLogP of -6.37, 17 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate is sourced from PubChem (CID 11557138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).