copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

About copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 6850182) has the molecular formula C24H32CuN2O2 and a molecular weight of 444.08 g/mol. Its IUPAC name is copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name	copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID	6850182
Molecular Formula	C24H32CuN2O2
Molecular Weight	444.08 g/mol
Exact Mass	443.18
IUPAC Name	copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILES	CC(C)(C)C(NC=C1C=CC=CC1=O)C(NC=C1C=CC=CC1=O)C(C)(C)C.[Cu]
InChI	InChI=1S/C24H32N2O2.Cu/c1-23(2,3)21(25-15-17-11-7-9-13-19(17)27)22(24(4,5)6)26-16-18-12-8-10-14-20(18)28;/h7-16,21-22,25-26H,1-6H3;
InChIKey	SRSVNYLETNRAEU-UHFFFAOYSA-N
XLogP	4.15
TPSA	58.20 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.08
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?

The IUPAC name of copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one (CID 6850182) is copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one.

What is the SMILES notation for copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?

The canonical SMILES for copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one is CC(C)(C)C(NC=C1C=CC=CC1=O)C(NC=C1C=CC=CC1=O)C(C)(C)C.[Cu].

What is the InChIKey of copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?

The InChIKey is SRSVNYLETNRAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2.Cu/c1-23(2,3)21(25-15-17-11-7-9-13-19(17)27)22(24(4,5)6)26-16-18-12-8-10-14-20(18)28;/h7-16,21-22,25-26H,1-6H3;.

What are the key properties of copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one?

copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 444.08 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for copper;6-[[[2,2,5,5-tetramethyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]hexan-3-yl]amino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 6850182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).