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

C18H20CuN2O2 — CID 5478138

About 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

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 (PubChem CID 5478138) has the molecular formula C18H20CuN2O2 and a molecular weight of 359.92 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 5478138
• Molecular Formula: C18H20CuN2O2
• Molecular Weight: 359.92 g/mol
• Exact Mass: 359.08
• IUPAC Name: 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
• SMILES: CC1=C/C(=C/NCCN/C=C2/C=C(C)C=CC2=O)C(=O)C=C1.[Cu]
• InChI: InChI=1S/C18H20N2O2.Cu/c1-13-3-5-17(21)15(9-13)11-19-7-8-20-12-16-10-14(2)4-6-18(16)22;/h3-6,9-12,19-20H,7-8H2,1-2H3;/b15-11-,16-12-
• InChIKey: MCQWBYCZYXBAIB-LEITXRBGSA-N
• XLogP: 2.10
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.92
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1=C/C(=C/NCCN/C=C2/C=C(C)C=CC2=O)C(=O)C=C1.[Cu].

What is the InChIKey of 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?

The InChIKey is MCQWBYCZYXBAIB-LEITXRBGSA-N. The full InChI is InChI=1S/C18H20N2O2.Cu/c1-13-3-5-17(21)15(9-13)11-19-7-8-20-12-16-10-14(2)4-6-18(16)22;/h3-6,9-12,19-20H,7-8H2,1-2H3;/b15-11-,16-12-;.

What are the key properties of 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?

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 has a molecular weight of 359.92 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 5478138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).