1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)

C18H18N2Y2-2 — CID 58604558

IUPAC1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)
SMILESCc1c[c-]c(/C=N/CC/N=C/c2[c-]cccc2C)cc1.[Y].[Y]
InChIInChI=1S/C18H18N2.2Y/c1-15-7-9-17(10-8-15)13-19-11-12-20-14-18-6-4-3-5-16(18)2;;/h3-5,7-9,13-14H,11-12H2,1-2H3;;/q-2;;/b19-13+,20-14+;;
InChIKeyGFEXKUNLRFKUKN-HPKCLRQXSA-N
MW440.17 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)

1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium) (PubChem CID 58604558) has the molecular formula C18H18N2Y2-2 and a molecular weight of 440.17 g/mol. Its IUPAC name is 1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium).

Molecular Properties

Compound Name1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)
PubChem CID58604558
Molecular FormulaC18H18N2Y2-2
Molecular Weight440.17 g/mol
Exact Mass439.96
IUPAC Name1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)
SMILESCc1c[c-]c(/C=N/CC/N=C/c2[c-]cccc2C)cc1.[Y].[Y]
InChIInChI=1S/C18H18N2.2Y/c1-15-7-9-17(10-8-15)13-19-11-12-20-14-18-6-4-3-5-16(18)2;;/h3-5,7-9,13-14H,11-12H2,1-2H3;;/q-2;;/b19-13+,20-14+;;
InChIKeyGFEXKUNLRFKUKN-HPKCLRQXSA-N
XLogP3.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.17
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))
CID 13005103
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
1-phenyl-N-propylmethanimine;yttrium
CID 58003847
(2E,4E,6E,8E)-N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine
CID 60138494
5-[(Z)-but-1-enyl]-2,3-dihydropyridine
CID 68208469
N-butyl-2,6-dimethyl-10-methylidenedodeca-2,4,6,8,11-pentaen-1-imine
CID 72660199
(Z)-N'-ethyl-N-methyl-4,5-dimethylidenehex-2-ene-1,6-diimine
CID 89672783
ethane;1-phenyl-N-(phenylmethyl)methanimine
CID 91576609
1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine
CID 123656754
4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 123962146
N-methyl-2-propan-2-ylidenehex-3-en-1-imine
CID 124036030
(2E,4Z)-N,2-diethylhexa-2,4-dien-1-imine
CID 126544961

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)?
The IUPAC name of 1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium) (CID 58604558) is 1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium).
What is the SMILES notation for 1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)?
The canonical SMILES for 1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium) is Cc1c[c-]c(/C=N/CC/N=C/c2[c-]cccc2C)cc1.[Y].[Y].
What is the InChIKey of 1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)?
The InChIKey is GFEXKUNLRFKUKN-HPKCLRQXSA-N. The full InChI is InChI=1S/C18H18N2.2Y/c1-15-7-9-17(10-8-15)13-19-11-12-20-14-18-6-4-3-5-16(18)2;;/h3-5,7-9,13-14H,11-12H2,1-2H3;;/q-2;;/b19-13+,20-14+;;.
What are the key properties of 1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)?
1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium) has a molecular weight of 440.17 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium) is sourced from PubChem (CID 58604558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).