2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper

C20H25CuN3O2 — CID 135548165

IUPAC2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper
SMILESNCCCC[C@@H](C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Cu]
InChIInChI=1S/C20H25N3O2.Cu/c21-12-6-5-9-18(23-14-17-8-2-4-11-20(17)25)15-22-13-16-7-1-3-10-19(16)24;/h1-4,7-8,10-11,13-14,18,24-25H,5-6,9,12,15,21H2;/b22-13+,23-14+;/t18-;/m0./s1
InChIKeyNQVYZNYTKRUKSD-AXEDNSEPSA-N
MW402.99 g/mol
LogP3.13
Rot. Bonds9

About 2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper

2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper (PubChem CID 135548165) has the molecular formula C20H25CuN3O2 and a molecular weight of 402.99 g/mol. Its IUPAC name is 2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper.

Molecular Properties

Compound Name2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper
PubChem CID135548165
Molecular FormulaC20H25CuN3O2
Molecular Weight402.99 g/mol
Exact Mass402.12
IUPAC Name2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper
SMILESNCCCC[C@@H](C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Cu]
InChIInChI=1S/C20H25N3O2.Cu/c21-12-6-5-9-18(23-14-17-8-2-4-11-20(17)25)15-22-13-16-7-1-3-10-19(16)24;/h1-4,7-8,10-11,13-14,18,24-25H,5-6,9,12,15,21H2;/b22-13+,23-14+;/t18-;/m0./s1
InChIKeyNQVYZNYTKRUKSD-AXEDNSEPSA-N
XLogP3.13
TPSA91.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.99
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-hydroxyphenyl)methylideneamino]pent-4-enyliminomethyl]phenol
CID 135406449
tert-butyl N-[(5S)-5,6-bis[(2-hydroxyphenyl)methylideneamino]hexyl]carbamate;copper
CID 135501133
cobalt;2-[[6-(2-hydroxyethoxy)-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol
CID 135467854
2-[[(2R)-2-[(2-hydroxyphenyl)methylideneamino]-2-phenylethyl]iminomethyl]phenol
CID 136694430
2-[3-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol
CID 136632189
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
tert-butyl (6S)-2-amino-6,7-bis[(2,3-dihydroxyphenyl)methylideneamino]heptanoate;nickel
CID 163887544
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol
CID 137105568
cobalt(3+);1-[(2-hydroxyphenyl)methylideneamino]propan-2-ylazanide;2-[(2-hydroxyphenyl)methylideneamino]propylazanide
CID 5255651

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper?
The IUPAC name of 2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper (CID 135548165) is 2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper.
What is the SMILES notation for 2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper?
The canonical SMILES for 2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper is NCCCC[C@@H](C/N=C/c1ccccc1O)/N=C/c1ccccc1O.[Cu].
What is the InChIKey of 2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper?
The InChIKey is NQVYZNYTKRUKSD-AXEDNSEPSA-N. The full InChI is InChI=1S/C20H25N3O2.Cu/c21-12-6-5-9-18(23-14-17-8-2-4-11-20(17)25)15-22-13-16-7-1-3-10-19(16)24;/h1-4,7-8,10-11,13-14,18,24-25H,5-6,9,12,15,21H2;/b22-13+,23-14+;/t18-;/m0./s1.
What are the key properties of 2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper?
2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper has a molecular weight of 402.99 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-6-amino-2-[(2-hydroxyphenyl)methylideneamino]hexyl]iminomethyl]phenol;copper is sourced from PubChem (CID 135548165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).