nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one

About nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one

nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 5379709) has the molecular formula C20H25N3NiO2 and a molecular weight of 398.13 g/mol. Its IUPAC name is nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name	nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID	5379709
Molecular Formula	C20H25N3NiO2
Molecular Weight	398.13 g/mol
Exact Mass	397.13
IUPAC Name	nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILES	O=C1C=CC=C/C1=C/NCCCNCCCN/C=C1/C=CC=CC1=O.[Ni]
InChI	InChI=1S/C20H25N3O2.Ni/c24-19-9-3-1-7-17(19)15-22-13-5-11-21-12-6-14-23-16-18-8-2-4-10-20(18)25;/h1-4,7-10,15-16,21-23H,5-6,11-14H2;/b17-15-,18-16-;
InChIKey	UZIMMQYFPCFWKD-OWILEKGLSA-N
XLogP	1.69
TPSA	70.23 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.13
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one?

The IUPAC name of nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one (CID 5379709) is nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one.

What is the SMILES notation for nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one?

The canonical SMILES for nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=C/NCCCNCCCN/C=C1/C=CC=CC1=O.[Ni].

What is the InChIKey of nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one?

The InChIKey is UZIMMQYFPCFWKD-OWILEKGLSA-N. The full InChI is InChI=1S/C20H25N3O2.Ni/c24-19-9-3-1-7-17(19)15-22-13-5-11-21-12-6-14-23-16-18-8-2-4-10-20(18)25;/h1-4,7-10,15-16,21-23H,5-6,11-14H2;/b17-15-,18-16-;.

What are the key properties of nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one?

nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 398.13 g/mol, XLogP of 1.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5379709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).