azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum

C22H60N8O4Pt2-4 — CID 59582137

IUPACazanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum
SMILESCCCC(=O)O.CCCCOO.[NH-]CCCCCC[NH2+]CC[NH2+]CCCCCC[NH-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt].[Pt]
InChIInChI=1S/C14H32N4.C4H10O2.C4H8O2.4H2N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;1-2-3-4-6-5;1-2-3-4(5)6;;;;;;/h15-18H,1-14H2;5H,2-4H2,1H3;2-3H2,1H3,(H,5,6);4*1H2;;/q-2;;;4*-1;;/p+2
InChIKeyVZLQJVGBRQRWKH-UHFFFAOYSA-P
MW890.93 g/mol
LogP6.35
Rot. Bonds20

About azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum

azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum (PubChem CID 59582137) has the molecular formula C22H60N8O4Pt2-4 and a molecular weight of 890.93 g/mol. Its IUPAC name is azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum.

Molecular Properties

Compound Nameazanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum
PubChem CID59582137
Molecular FormulaC22H60N8O4Pt2-4
Molecular Weight890.93 g/mol
Exact Mass890.41
IUPAC Nameazanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum
SMILESCCCC(=O)O.CCCCOO.[NH-]CCCCCC[NH2+]CC[NH2+]CCCCCC[NH-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt].[Pt]
InChIInChI=1S/C14H32N4.C4H10O2.C4H8O2.4H2N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;1-2-3-4-6-5;1-2-3-4(5)6;;;;;;/h15-18H,1-14H2;5H,2-4H2,1H3;2-3H2,1H3,(H,5,6);4*1H2;;/q-2;;;4*-1;;/p+2
InChIKeyVZLQJVGBRQRWKH-UHFFFAOYSA-P
XLogP6.35
TPSA281.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.93
LogP ≤ 56.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum?
The IUPAC name of azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum (CID 59582137) is azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum.
What is the SMILES notation for azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum?
The canonical SMILES for azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum is CCCC(=O)O.CCCCOO.[NH-]CCCCCC[NH2+]CC[NH2+]CCCCCC[NH-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt].[Pt].
What is the InChIKey of azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum?
The InChIKey is VZLQJVGBRQRWKH-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H32N4.C4H10O2.C4H8O2.4H2N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;1-2-3-4-6-5;1-2-3-4(5)6;;;;;;/h15-18H,1-14H2;5H,2-4H2,1H3;2-3H2,1H3,(H,5,6);4*1H2;;/q-2;;;4*-1;;/p+2.
What are the key properties of azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum?
azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum has a molecular weight of 890.93 g/mol, XLogP of 6.35, 20 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum is sourced from PubChem (CID 59582137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).