copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)

C26H34CuN2O2 — CID 6841828

IUPACcopper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=CC1=CNC1CCCCC1.O=C1C=CC=CC1=CNC1CCCCC1.[Cu]
InChIInChI=1S/2C13H17NO.Cu/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;/h2*4-6,9-10,12,14H,1-3,7-8H2;
InChIKeyGKXWPOJWVAEECT-UHFFFAOYSA-N
MW470.12 g/mol
LogP4.97
Rot. Bonds4

About copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)

copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) (PubChem CID 6841828) has the molecular formula C26H34CuN2O2 and a molecular weight of 470.12 g/mol. Its IUPAC name is copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecopper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
PubChem CID6841828
Molecular FormulaC26H34CuN2O2
Molecular Weight470.12 g/mol
Exact Mass469.19
IUPAC Namecopper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=CC1=CNC1CCCCC1.O=C1C=CC=CC1=CNC1CCCCC1.[Cu]
InChIInChI=1S/2C13H17NO.Cu/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;/h2*4-6,9-10,12,14H,1-3,7-8H2;
InChIKeyGKXWPOJWVAEECT-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.12
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iron;tris((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5379606
nickel;(6Z)-6-[[7-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379704
cobalt;(6Z)-6-[[7-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379711
copper;(6Z)-6-[[7-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]heptylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379739
bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper
CID 5474159
bis((6Z)-6-[(butan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5475135
copper;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475136
copper;bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475599
cobalt;bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475602
bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel
CID 5475606
copper;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5476039
Copper;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 6791225

Frequently Asked Questions

What is the IUPAC name of copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The IUPAC name of copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) (CID 6841828) is copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one).
What is the SMILES notation for copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The canonical SMILES for copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) is O=C1C=CC=CC1=CNC1CCCCC1.O=C1C=CC=CC1=CNC1CCCCC1.[Cu].
What is the InChIKey of copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The InChIKey is GKXWPOJWVAEECT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17NO.Cu/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;/h2*4-6,9-10,12,14H,1-3,7-8H2;.
What are the key properties of copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) has a molecular weight of 470.12 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 6841828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).