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

C26H34N2NiO2 — CID 6811335

IUPACbis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel
SMILESO=C1C=CC=CC1=CNC1CCCCC1.O=C1C=CC=CC1=CNC1CCCCC1.[Ni]
InChIInChI=1S/2C13H17NO.Ni/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;
InChIKeyLAOXCXZLCSXLRR-UHFFFAOYSA-N
MW465.26 g/mol
LogP4.97
Rot. Bonds4

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

bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel (PubChem CID 6811335) has the molecular formula C26H34N2NiO2 and a molecular weight of 465.26 g/mol. Its IUPAC name is bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel.

Molecular Properties

Compound Namebis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel
PubChem CID6811335
Molecular FormulaC26H34N2NiO2
Molecular Weight465.26 g/mol
Exact Mass464.20
IUPAC Namebis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel
SMILESO=C1C=CC=CC1=CNC1CCCCC1.O=C1C=CC=CC1=CNC1CCCCC1.[Ni]
InChIInChI=1S/2C13H17NO.Ni/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;
InChIKeyLAOXCXZLCSXLRR-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 ≤ 500465.26
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[(butan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5475135
copper;bis((6Z)-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475599
nickel;bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one)
CID 5475600
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
nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5476037
Nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 6812802
Bis(6-[(butan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 6813240

Frequently Asked Questions

What is the IUPAC name of bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel?
The IUPAC name of bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel (CID 6811335) is bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel.
What is the SMILES notation for bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel?
The canonical SMILES for bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel is O=C1C=CC=CC1=CNC1CCCCC1.O=C1C=CC=CC1=CNC1CCCCC1.[Ni].
What is the InChIKey of bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel?
The InChIKey is LAOXCXZLCSXLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17NO.Ni/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 bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel?
bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel has a molecular weight of 465.26 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 bis(6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one);nickel is sourced from PubChem (CID 6811335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).