N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium)

C20H27N2Y2-3 — CID 169428658

IUPACN-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium)
SMILESC.C.C/[C-]=[N+](\C)c1[c-]cccc1.C=[C-]N(C)c1[c-]cccc1.[Y].[Y]
InChIInChI=1S/C9H10N.C9H9N.2CH4.2Y/c2*1-3-10(2)9-7-5-4-6-8-9;;;;/h4-7H,1-2H3;4-7H,1H2,2H3;2*1H4;;/q-1;-2;;;;
InChIKeyZXSCZHQZJUSRAQ-UHFFFAOYSA-N
MW473.26 g/mol
LogP4.87
Rot. Bonds3

About N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium)

N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium) (PubChem CID 169428658) has the molecular formula C20H27N2Y2-3 and a molecular weight of 473.26 g/mol. Its IUPAC name is N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium).

Molecular Properties

Compound NameN-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium)
PubChem CID169428658
Molecular FormulaC20H27N2Y2-3
Molecular Weight473.26 g/mol
Exact Mass473.03
IUPAC NameN-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium)
SMILESC.C.C/[C-]=[N+](\C)c1[c-]cccc1.C=[C-]N(C)c1[c-]cccc1.[Y].[Y]
InChIInChI=1S/C9H10N.C9H9N.2CH4.2Y/c2*1-3-10(2)9-7-5-4-6-8-9;;;;/h4-7H,1-2H3;4-7H,1H2,2H3;2*1H4;;/q-1;-2;;;;
InChIKeyZXSCZHQZJUSRAQ-UHFFFAOYSA-N
XLogP4.87
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.26
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-phenylaniline;yttrium
CID 59953259
3-(N-methylanilino)propanenitrile;tris(yttrium)
CID 58860588
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CID 177124602
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CID 6397321
ethylidene(phenyl)azanium;yttrium
CID 58165797
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CID 58471959
iridium;phenylbenzene
CID 58599975
1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
CID 160503199
bromobenzene;nitrobenzene;yttrium
CID 134852168
zinc;methylbenzene;chloride
CID 22283008
ethane;N-methanidylaniline;yttrium
CID 161273901

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium)?
The IUPAC name of N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium) (CID 169428658) is N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium).
What is the SMILES notation for N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium)?
The canonical SMILES for N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium) is C.C.C/[C-]=[N+](\C)c1[c-]cccc1.C=[C-]N(C)c1[c-]cccc1.[Y].[Y].
What is the InChIKey of N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium)?
The InChIKey is ZXSCZHQZJUSRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N.C9H9N.2CH4.2Y/c2*1-3-10(2)9-7-5-4-6-8-9;;;;/h4-7H,1-2H3;4-7H,1H2,2H3;2*1H4;;/q-1;-2;;;;.
What are the key properties of N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium)?
N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium) has a molecular weight of 473.26 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methylaniline;ethylidene-methyl-phenylazanium;methane;bis(yttrium) is sourced from PubChem (CID 169428658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).