N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum

C22H60N8O4Pt2-2 — CID 24969654

IUPACN'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum
SMILESCCCC(=O)[O-].CCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.[Pt].[Pt]
InChIInChI=1S/C14H34N4.2C4H8O2.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;2*1-2-3-4(5)6;;;;;;/h17-18H,1-16H2;2*2-3H2,1H3,(H,5,6);4*1H3;;/p-2
InChIKeyICWXSIXYNBHEDV-UHFFFAOYSA-L
MW890.93 g/mol
LogP0.92
Rot. Bonds19

About N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum

N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum (PubChem CID 24969654) has the molecular formula C22H60N8O4Pt2-2 and a molecular weight of 890.93 g/mol. Its IUPAC name is N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum.

Molecular Properties

Compound NameN'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum
PubChem CID24969654
Molecular FormulaC22H60N8O4Pt2-2
Molecular Weight890.93 g/mol
Exact Mass890.40
IUPAC NameN'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum
SMILESCCCC(=O)[O-].CCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.[Pt].[Pt]
InChIInChI=1S/C14H34N4.2C4H8O2.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;2*1-2-3-4(5)6;;;;;;/h17-18H,1-16H2;2*2-3H2,1H3,(H,5,6);4*1H3;;/p-2
InChIKeyICWXSIXYNBHEDV-UHFFFAOYSA-L
XLogP0.92
TPSA296.36 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500890.93
LogP ≤ 50.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;carbanide;2,2-dimethylpropanoic acid;platinum;platinum(4+)
CID 59582134
Azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexylazanide;butanoic acid;1-hydroperoxybutane;platinum
CID 59582137
4-[2-[6-[2-(3-Carboxypropylamino)ethylamino]hexylamino]ethylamino]butanoic acid
CID 89427886
N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum
CID 24969655
N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate
CID 46917111

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum?
The IUPAC name of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum (CID 24969654) is N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum.
What is the SMILES notation for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum?
The canonical SMILES for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum is CCCC(=O)[O-].CCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.[Pt].[Pt].
What is the InChIKey of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum?
The InChIKey is ICWXSIXYNBHEDV-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H34N4.2C4H8O2.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;2*1-2-3-4(5)6;;;;;;/h17-18H,1-16H2;2*2-3H2,1H3,(H,5,6);4*1H3;;/p-2.
What are the key properties of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum?
N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum has a molecular weight of 890.93 g/mol, XLogP of 0.92, 19 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum is sourced from PubChem (CID 24969654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).