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

C30H76N8O4Pt2-2 — CID 24969655

IUPACN'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.[Pt].[Pt]
InChIInChI=1S/C14H34N4.2C8H16O2.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;2*1-2-3-4-5-6-7-8(9)10;;;;;;/h17-18H,1-16H2;2*2-7H2,1H3,(H,9,10);4*1H3;;/p-2
InChIKeyIFQWWWXZEDMVIF-UHFFFAOYSA-L
MW1003.15 g/mol
LogP4.04
Rot. Bonds27

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

N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum (PubChem CID 24969655) has the molecular formula C30H76N8O4Pt2-2 and a molecular weight of 1003.15 g/mol. Its IUPAC name is N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum.

Molecular Properties

Compound NameN'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum
PubChem CID24969655
Molecular FormulaC30H76N8O4Pt2-2
Molecular Weight1003.15 g/mol
Exact Mass1002.53
IUPAC NameN'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.[Pt].[Pt]
InChIInChI=1S/C14H34N4.2C8H16O2.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;2*1-2-3-4-5-6-7-8(9)10;;;;;;/h17-18H,1-16H2;2*2-7H2,1H3,(H,9,10);4*1H3;;/p-2
InChIKeyIFQWWWXZEDMVIF-UHFFFAOYSA-L
XLogP4.04
TPSA296.36 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001003.15
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum?
The IUPAC name of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum (CID 24969655) is N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum.
What is the SMILES notation for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum?
The canonical SMILES for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum is CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.[Pt].[Pt].
What is the InChIKey of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum?
The InChIKey is IFQWWWXZEDMVIF-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H34N4.2C8H16O2.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;2*1-2-3-4-5-6-7-8(9)10;;;;;;/h17-18H,1-16H2;2*2-7H2,1H3,(H,9,10);4*1H3;;/p-2.
What are the key properties of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum?
N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;bis(octanoate);platinum has a molecular weight of 1003.15 g/mol, XLogP of 4.04, 27 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;bis(octanoate);platinum is sourced from PubChem (CID 24969655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).