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

C18H22N2O2Sn — CID 5477088

IUPACdimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILESC[Sn]C.O=C1C=CC=C/C1=C/NCCN/C=C1/C=CC=CC1=O
InChIInChI=1S/C16H16N2O2.2CH3.Sn/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;;;/h1-8,11-12,17-18H,9-10H2;2*1H3;/b13-11-,14-12-;;;
InChIKeyUKSDAHWAFDEDRH-KPYCXDPXSA-N
MW417.10 g/mol
LogP2.11
Rot. Bonds5

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

dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 5477088) has the molecular formula C18H22N2O2Sn and a molecular weight of 417.10 g/mol. Its IUPAC name is dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namedimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID5477088
Molecular FormulaC18H22N2O2Sn
Molecular Weight417.10 g/mol
Exact Mass418.07
IUPAC Namedimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILESC[Sn]C.O=C1C=CC=C/C1=C/NCCN/C=C1/C=CC=CC1=O
InChIInChI=1S/C16H16N2O2.2CH3.Sn/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;;;/h1-8,11-12,17-18H,9-10H2;2*1H3;/b13-11-,14-12-;;;
InChIKeyUKSDAHWAFDEDRH-KPYCXDPXSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.10
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

N,N'-Bis(salicylidene)ethylenediaminocobalt(II)
CID 11012797
Disodium;carbanide;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 59977943
nickel;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379012
Cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379363
Copper;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379395
6-[[[2-Methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one;palladium
CID 5379751
(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;zinc
CID 5385183
manganese;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5462841
copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5462857
(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
CID 5473387
copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5473425
CID 5473830
CID 5473830

Frequently Asked Questions

What is the IUPAC name of dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one (CID 5477088) is dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one is C[Sn]C.O=C1C=CC=C/C1=C/NCCN/C=C1/C=CC=CC1=O.
What is the InChIKey of dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is UKSDAHWAFDEDRH-KPYCXDPXSA-N. The full InChI is InChI=1S/C16H16N2O2.2CH3.Sn/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;;;/h1-8,11-12,17-18H,9-10H2;2*1H3;/b13-11-,14-12-;;;.
What are the key properties of dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one?
dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 417.10 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyltin;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5477088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).