About N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate
N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate (PubChem CID 46917111) has the molecular formula C22H62N12O16Pt2
and a molecular weight of 1140.96 g/mol. Its IUPAC name is N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate.
Molecular Properties
| Compound Name | N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate |
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| PubChem CID | 46917111 |
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| Molecular Formula | C22H62N12O16Pt2 |
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| Molecular Weight | 1140.96 g/mol |
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| Exact Mass | 1140.37 |
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| IUPAC Name | N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate |
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| SMILES | CCCC(=O)[O-].CCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt+2].[Pt+2] |
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| InChI | InChI=1S/C14H34N4.2C4H8O2.2HNO3.2NO3.4H3N.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;4*2-1(3)4;;;;;;/h17-18H,1-16H2;2*2-3H2,1H3,(H,5,6);2*(H,2,3,4);;;4*1H3;;/q;;;;;2*-1;;;;;2*+2/p-2 |
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| InChIKey | QXNITYGXZADUOK-UHFFFAOYSA-L |
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| XLogP | -0.25 |
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| TPSA | 555.50 Ų |
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| H-Bond Donors | 10 |
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| H-Bond Acceptors | 22 |
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| Rotatable Bonds | 19 |
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| Heavy Atoms | 52 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1140.96 |
| LogP ≤ 5 | -0.25 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 22 |
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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Frequently Asked Questions
What is the IUPAC name of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate?
The IUPAC name of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate (CID 46917111) is N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate.
What is the SMILES notation for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate?
The canonical SMILES for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate is CCCC(=O)[O-].CCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pt+2].[Pt+2].
What is the InChIKey of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate?
The InChIKey is QXNITYGXZADUOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H34N4.2C4H8O2.2HNO3.2NO3.4H3N.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;4*2-1(3)4;;;;;;/h17-18H,1-16H2;2*2-3H2,1H3,(H,5,6);2*(H,2,3,4);;;4*1H3;;/q;;;;;2*-1;;;;;2*+2/p-2.
What are the key properties of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate?
N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate has a molecular weight of 1140.96 g/mol, XLogP of -0.25, 19 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;bis(nitric acid);bis(platinum(2+));dinitrate is sourced from PubChem (CID 46917111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).