copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate

C18H22ClCuN3O6 — CID 139177156

IUPACcopper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N\CCN(CCCO)Cc1ccccn1
InChIInChI=1S/C18H23N3O2.ClHO4.Cu/c22-13-5-11-21(15-17-7-3-4-9-20-17)12-10-19-14-16-6-1-2-8-18(16)23;2-1(3,4)5;/h1-4,6-9,14,22-23H,5,10-13,15H2;(H,2,3,4,5);/q;;+2/p-2/b19-14-;;
InChIKeyYSBJXYFMSQPUMF-MHZTUVSFSA-L
MW475.39 g/mol
LogP-3.30
Rot. Bonds9

About copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate

copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate (PubChem CID 139177156) has the molecular formula C18H22ClCuN3O6 and a molecular weight of 475.39 g/mol. Its IUPAC name is copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate.

Molecular Properties

Compound Namecopper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate
PubChem CID139177156
Molecular FormulaC18H22ClCuN3O6
Molecular Weight475.39 g/mol
Exact Mass474.05
IUPAC Namecopper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N\CCN(CCCO)Cc1ccccn1
InChIInChI=1S/C18H23N3O2.ClHO4.Cu/c22-13-5-11-21(15-17-7-3-4-9-20-17)12-10-19-14-16-6-1-2-8-18(16)23;2-1(3,4)5;/h1-4,6-9,14,22-23H,5,10-13,15H2;(H,2,3,4,5);/q;;+2/p-2/b19-14-;;
InChIKeyYSBJXYFMSQPUMF-MHZTUVSFSA-L
XLogP-3.30
TPSA164.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 5-3.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
CID 102034985
2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide
CID 139052351
3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol
CID 102075024
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
2-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-3-hydroxypentyl]iminomethyl]phenol
CID 136784633
cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate
CID 139071417
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
hexakis(manganese(3+));tetrakis(oxido(dioxo)vanadium);hexakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);diperchlorate;octahydrate
CID 139261434
2-[[2-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102193195
2-[[(2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(oxygen(2-));tungsten
CID 139162848
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031

Frequently Asked Questions

What is the IUPAC name of copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate?
The IUPAC name of copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate (CID 139177156) is copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate.
What is the SMILES notation for copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate?
The canonical SMILES for copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate is [Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N\CCN(CCCO)Cc1ccccn1.
What is the InChIKey of copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate?
The InChIKey is YSBJXYFMSQPUMF-MHZTUVSFSA-L. The full InChI is InChI=1S/C18H23N3O2.ClHO4.Cu/c22-13-5-11-21(15-17-7-3-4-9-20-17)12-10-19-14-16-6-1-2-8-18(16)23;2-1(3,4)5;/h1-4,6-9,14,22-23H,5,10-13,15H2;(H,2,3,4,5);/q;;+2/p-2/b19-14-;;.
What are the key properties of copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate?
copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate has a molecular weight of 475.39 g/mol, XLogP of -3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate is sourced from PubChem (CID 139177156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).