cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate

C24H27CdCl2N7O8 — CID 139071417

IUPACcadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate
SMILESC(=N/CCN(CC/N=C/c1ccccn1)CC/N=C/c1ccccn1)\c1ccccn1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H27N7.Cd.2ClHO4/c1-4-10-28-22(7-1)19-25-13-16-31(17-14-26-20-23-8-2-5-11-29-23)18-15-27-21-24-9-3-6-12-30-24;;2*2-1(3,4)5/h1-12,19-21H,13-18H2;;2*(H,2,3,4,5)/q;+2;;/p-2/b25-19+,26-20+,27-21+;;;
InChIKeyVVMHRPFPQATFOZ-SCCSDIGBSA-L
MW724.84 g/mol
LogP-6.68
Rot. Bonds12

About cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate

cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate (PubChem CID 139071417) has the molecular formula C24H27CdCl2N7O8 and a molecular weight of 724.84 g/mol. Its IUPAC name is cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate.

Molecular Properties

Compound Namecadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate
PubChem CID139071417
Molecular FormulaC24H27CdCl2N7O8
Molecular Weight724.84 g/mol
Exact Mass725.03
IUPAC Namecadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate
SMILESC(=N/CCN(CC/N=C/c1ccccn1)CC/N=C/c1ccccn1)\c1ccccn1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H27N7.Cd.2ClHO4/c1-4-10-28-22(7-1)19-25-13-16-31(17-14-26-20-23-8-2-5-11-29-23)18-15-27-21-24-9-3-6-12-30-24;;2*2-1(3,4)5/h1-12,19-21H,13-18H2;;2*(H,2,3,4,5)/q;+2;;/p-2/b25-19+,26-20+,27-21+;;;
InChIKeyVVMHRPFPQATFOZ-SCCSDIGBSA-L
XLogP-6.68
TPSA263.47 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.84
LogP ≤ 5-6.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethane-1,2-diamine
CID 135011278
N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
CID 102034985
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate
CID 139068771
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
CID 101461429
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
1,1'-biphenyl;carbanide;cobalt;N-(2-phosphanylethyl)-1-pyridin-2-ylmethanimine
CID 158437244
dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate
CID 139151851
copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate
CID 139177156
zinc;6-[2-[bis[2-[(5-hydroxy-2-pyridinyl)methylideneamino]ethyl]amino]ethyliminomethyl]pyridin-3-ol;dinitrate
CID 139082677
[6-[2-[bis[2-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]ethyl]amino]ethyliminomethyl]-2-pyridinyl]methanol;iron(2+);dibromide
CID 139164096

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate?
The IUPAC name of cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate (CID 139071417) is cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate.
What is the SMILES notation for cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate?
The canonical SMILES for cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate is C(=N/CCN(CC/N=C/c1ccccn1)CC/N=C/c1ccccn1)\c1ccccn1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate?
The InChIKey is VVMHRPFPQATFOZ-SCCSDIGBSA-L. The full InChI is InChI=1S/C24H27N7.Cd.2ClHO4/c1-4-10-28-22(7-1)19-25-13-16-31(17-14-26-20-23-8-2-5-11-29-23)18-15-27-21-24-9-3-6-12-30-24;;2*2-1(3,4)5/h1-12,19-21H,13-18H2;;2*(H,2,3,4,5)/q;+2;;/p-2/b25-19+,26-20+,27-21+;;;.
What are the key properties of cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate?
cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate has a molecular weight of 724.84 g/mol, XLogP of -6.68, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate is sourced from PubChem (CID 139071417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).