3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium)

C8H9NY5-2 — CID 58784929

IUPAC3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium)
SMILESCc1[c-]cc(N)[c-]c1C.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H9N.5Y/c1-6-3-4-8(9)5-7(6)2;;;;;/h4H,9H2,1-2H3;;;;;/q-2;;;;;
InChIKeyFQKBDWZUFGIFMY-UHFFFAOYSA-N
MW563.70 g/mol
LogP1.47
Rot. Bonds

About 3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium)

3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium) (PubChem CID 58784929) has the molecular formula C8H9NY5-2 and a molecular weight of 563.70 g/mol. Its IUPAC name is 3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium).

Molecular Properties

Compound Name3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium)
PubChem CID58784929
Molecular FormulaC8H9NY5-2
Molecular Weight563.70 g/mol
Exact Mass563.60
IUPAC Name3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium)
SMILESCc1[c-]cc(N)[c-]c1C.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H9N.5Y/c1-6-3-4-8(9)5-7(6)2;;;;;/h4H,9H2,1-2H3;;;;;/q-2;;;;;
InChIKeyFQKBDWZUFGIFMY-UHFFFAOYSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.70
LogP ≤ 51.47
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 3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium)?
The IUPAC name of 3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium) (CID 58784929) is 3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium).
What is the SMILES notation for 3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium)?
The canonical SMILES for 3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium) is Cc1[c-]cc(N)[c-]c1C.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium)?
The InChIKey is FQKBDWZUFGIFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.5Y/c1-6-3-4-8(9)5-7(6)2;;;;;/h4H,9H2,1-2H3;;;;;/q-2;;;;;.
What are the key properties of 3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium)?
3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium) has a molecular weight of 563.70 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylbenzene-2,5-diid-1-amine;pentakis(yttrium) is sourced from PubChem (CID 58784929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).