copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium

C24H31CuN2O4+2 — CID 142829958

IUPACcopper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium
SMILESCOc1ccc(O)c(/C=N/C2CCCCC2/[N+](C)=C/c2cc(OC)ccc2OC)c1.[Cu+]
InChIInChI=1S/C24H30N2O4.Cu/c1-26(16-18-14-20(29-3)10-12-24(18)30-4)22-8-6-5-7-21(22)25-15-17-13-19(28-2)9-11-23(17)27;/h9-16,21-22H,5-8H2,1-4H3;/q;+1/p+1/b26-16+;
InChIKeySEHDLAXFHFMSHM-SAVLHYOGSA-O
MW475.07 g/mol
LogP3.91
Rot. Bonds7

About copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium

copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium (PubChem CID 142829958) has the molecular formula C24H31CuN2O4+2 and a molecular weight of 475.07 g/mol. Its IUPAC name is copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium.

Molecular Properties

Compound Namecopper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium
PubChem CID142829958
Molecular FormulaC24H31CuN2O4+2
Molecular Weight475.07 g/mol
Exact Mass474.16
IUPAC Namecopper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium
SMILESCOc1ccc(O)c(/C=N/C2CCCCC2/[N+](C)=C/c2cc(OC)ccc2OC)c1.[Cu+]
InChIInChI=1S/C24H30N2O4.Cu/c1-26(16-18-14-20(29-3)10-12-24(18)30-4)22-8-6-5-7-21(22)25-15-17-13-19(28-2)9-11-23(17)27;/h9-16,21-22H,5-8H2,1-4H3;/q;+1/p+1/b26-16+;
InChIKeySEHDLAXFHFMSHM-SAVLHYOGSA-O
XLogP3.91
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.07
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol
CID 135750215
4-hydroxy-3-[N-[(1R,2R)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-C-methylcarbonimidoyl]-6-methylpyran-2-one
CID 135533315
2-[[(1S,2S)-2-[[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethoxy)phenol
CID 177457494
2-[[(3S)-1,1-dioxothiolan-3-yl]iminomethyl]-4-methoxyphenol
CID 135787711
1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11268143
2-[(1-ethylpiperidin-1-ium-4-yl)iminomethyl]-4-methoxyphenol
CID 135598108
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136775436
3-[[(1R,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
CID 136731917
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
4-methoxy-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]phenol
CID 135828952
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 6113811

Frequently Asked Questions

What is the IUPAC name of copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium?
The IUPAC name of copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium (CID 142829958) is copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium.
What is the SMILES notation for copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium?
The canonical SMILES for copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium is COc1ccc(O)c(/C=N/C2CCCCC2/[N+](C)=C/c2cc(OC)ccc2OC)c1.[Cu+].
What is the InChIKey of copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium?
The InChIKey is SEHDLAXFHFMSHM-SAVLHYOGSA-O. The full InChI is InChI=1S/C24H30N2O4.Cu/c1-26(16-18-14-20(29-3)10-12-24(18)30-4)22-8-6-5-7-21(22)25-15-17-13-19(28-2)9-11-23(17)27;/h9-16,21-22H,5-8H2,1-4H3;/q;+1/p+1/b26-16+;.
What are the key properties of copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium?
copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium has a molecular weight of 475.07 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);(2,5-dimethoxyphenyl)methylidene-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]-methylazanium is sourced from PubChem (CID 142829958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).