N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate

C14H48Cl2N12O12Pt2 — CID 11457441

About N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate

N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate (PubChem CID 11457441) has the molecular formula C14H48Cl2N12O12Pt2 and a molecular weight of 1037.67 g/mol. Its IUPAC name is N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate.

Molecular Properties

• Compound Name: N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate
• PubChem CID: 11457441
• Molecular Formula: C14H48Cl2N12O12Pt2
• Molecular Weight: 1037.67 g/mol
• Exact Mass: 1036.22
• IUPAC Name: N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate
• SMILES: Cl[Pt+].Cl[Pt+].N.N.N.N.NCCCCCCNCCNCCCCCCN.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])[O-].O=[N+]([O-])[O-]
• InChI: InChI=1S/C14H34N4.2ClH.2HNO3.2NO3.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;;;4*2-1(3)4;;;;;;/h17-18H,1-16H2;2*1H;2*(H,2,3,4);;;4*1H3;;/q;;;;;2*-1;;;;;2*+2/p-2
• InChIKey: LKRKOGNDSXQCGW-UHFFFAOYSA-L
• XLogP: 2.05
• TPSA: 475.24 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.67
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

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'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate?

The IUPAC name of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate (CID 11457441) is N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate.

What is the SMILES notation for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate?

The canonical SMILES for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate is Cl[Pt+].Cl[Pt+].N.N.N.N.NCCCCCCNCCNCCCCCCN.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].

What is the InChIKey of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate?

The InChIKey is LKRKOGNDSXQCGW-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H34N4.2ClH.2HNO3.2NO3.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;;;4*2-1(3)4;;;;;;/h17-18H,1-16H2;2*1H;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;bis(chloroplatinum(1+));bis(nitric acid);dinitrate?

N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate has a molecular weight of 1037.67 g/mol, XLogP of 2.05, 15 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(chloroplatinum(1+));bis(nitric acid);dinitrate is sourced from PubChem (CID 11457441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).