2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium

C8H9NWY-2 — CID 58858655

IUPAC2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium
SMILESCc1[c-]c(N)c(C)[c-]c1.[W].[Y]
InChIInChI=1S/C8H9N.W.Y/c1-6-3-4-7(2)8(9)5-6;;/h3H,9H2,1-2H3;;/q-2;;
InChIKeyOSIGLACKEYADBV-UHFFFAOYSA-N
MW391.91 g/mol
LogP1.48
Rot. Bonds

About 2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium

2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium (PubChem CID 58858655) has the molecular formula C8H9NWY-2 and a molecular weight of 391.91 g/mol. Its IUPAC name is 2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium.

Molecular Properties

Compound Name2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium
PubChem CID58858655
Molecular FormulaC8H9NWY-2
Molecular Weight391.91 g/mol
Exact Mass391.93
IUPAC Name2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium
SMILESCc1[c-]c(N)c(C)[c-]c1.[W].[Y]
InChIInChI=1S/C8H9N.W.Y/c1-6-3-4-7(2)8(9)5-6;;/h3H,9H2,1-2H3;;/q-2;;
InChIKeyOSIGLACKEYADBV-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium?
The IUPAC name of 2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium (CID 58858655) is 2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium.
What is the SMILES notation for 2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium?
The canonical SMILES for 2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium is Cc1[c-]c(N)c(C)[c-]c1.[W].[Y].
What is the InChIKey of 2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium?
The InChIKey is OSIGLACKEYADBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.W.Y/c1-6-3-4-7(2)8(9)5-6;;/h3H,9H2,1-2H3;;/q-2;;.
What are the key properties of 2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium?
2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium has a molecular weight of 391.91 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylbenzene-3,6-diid-1-amine;tungsten;yttrium is sourced from PubChem (CID 58858655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).