bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+)

C18H20CuN3O2 — CID 5475945

IUPACbis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+)
SMILESO=C1C=CC=C/C1=C/NCC[N-]CCN/C=C1/C=CC=CC1=O.[Cu+]
InChIInChI=1S/C18H20N3O2.Cu/c22-17-7-3-1-5-15(17)13-20-11-9-19-10-12-21-14-16-6-2-4-8-18(16)23;/h1-8,13-14,20-21H,9-12H2;/q-1;+1/b15-13-,16-14-;
InChIKeyULRGCUSWGDRXJK-MWEBDPMNSA-N
MW373.92 g/mol
LogP1.69
Rot. Bonds8

About bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+)

bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+) (PubChem CID 5475945) has the molecular formula C18H20CuN3O2 and a molecular weight of 373.92 g/mol. Its IUPAC name is bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+).

Molecular Properties

Compound Namebis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+)
PubChem CID5475945
Molecular FormulaC18H20CuN3O2
Molecular Weight373.92 g/mol
Exact Mass373.09
IUPAC Namebis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+)
SMILESO=C1C=CC=C/C1=C/NCC[N-]CCN/C=C1/C=CC=CC1=O.[Cu+]
InChIInChI=1S/C18H20N3O2.Cu/c22-17-7-3-1-5-15(17)13-20-11-9-19-10-12-21-14-16-6-2-4-8-18(16)23;/h1-8,13-14,20-21H,9-12H2;/q-1;+1/b15-13-,16-14-;
InChIKeyULRGCUSWGDRXJK-MWEBDPMNSA-N
XLogP1.69
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+) with MolForge

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Related Compounds

nickel;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379012
Copper;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379395
manganese;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5462841
copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5462857
(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
CID 5473387
CID 5473830
CID 5473830
bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;cobalt
CID 5475924
copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5476040
dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5477088
copper;(6Z)-6-[1-[2-[[(1Z)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one
CID 5477367
copper;(6Z)-4-methyl-6-[[2-[[(Z)-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5478138
Copper;4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 6786376

Frequently Asked Questions

What is the IUPAC name of bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+)?
The IUPAC name of bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+) (CID 5475945) is bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+).
What is the SMILES notation for bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+)?
The canonical SMILES for bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+) is O=C1C=CC=C/C1=C/NCC[N-]CCN/C=C1/C=CC=CC1=O.[Cu+].
What is the InChIKey of bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+)?
The InChIKey is ULRGCUSWGDRXJK-MWEBDPMNSA-N. The full InChI is InChI=1S/C18H20N3O2.Cu/c22-17-7-3-1-5-15(17)13-20-11-9-19-10-12-21-14-16-6-2-4-8-18(16)23;/h1-8,13-14,20-21H,9-12H2;/q-1;+1/b15-13-,16-14-;.
What are the key properties of bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+)?
bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+) has a molecular weight of 373.92 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;copper(1+) is sourced from PubChem (CID 5475945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).