2,6-dimethylbenzene-4-id-1-amine;yttrium

C8H10NY- — CID 58697474

IUPAC2,6-dimethylbenzene-4-id-1-amine;yttrium
SMILESCc1c[c-]cc(C)c1N.[Y]
InChIInChI=1S/C8H10N.Y/c1-6-4-3-5-7(2)8(6)9;/h4-5H,9H2,1-2H3;/q-1;
InChIKeyZSDDHLWQVMQLER-UHFFFAOYSA-N
MW209.08 g/mol
LogP1.68
Rot. Bonds

About 2,6-dimethylbenzene-4-id-1-amine;yttrium

2,6-dimethylbenzene-4-id-1-amine;yttrium (PubChem CID 58697474) has the molecular formula C8H10NY- and a molecular weight of 209.08 g/mol. Its IUPAC name is 2,6-dimethylbenzene-4-id-1-amine;yttrium.

Molecular Properties

Compound Name2,6-dimethylbenzene-4-id-1-amine;yttrium
PubChem CID58697474
Molecular FormulaC8H10NY-
Molecular Weight209.08 g/mol
Exact Mass208.99
IUPAC Name2,6-dimethylbenzene-4-id-1-amine;yttrium
SMILESCc1c[c-]cc(C)c1N.[Y]
InChIInChI=1S/C8H10N.Y/c1-6-4-3-5-7(2)8(6)9;/h4-5H,9H2,1-2H3;/q-1;
InChIKeyZSDDHLWQVMQLER-UHFFFAOYSA-N
XLogP1.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 51.68
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 2,6-dimethylbenzene-4-id-1-amine;yttrium?
The IUPAC name of 2,6-dimethylbenzene-4-id-1-amine;yttrium (CID 58697474) is 2,6-dimethylbenzene-4-id-1-amine;yttrium.
What is the SMILES notation for 2,6-dimethylbenzene-4-id-1-amine;yttrium?
The canonical SMILES for 2,6-dimethylbenzene-4-id-1-amine;yttrium is Cc1c[c-]cc(C)c1N.[Y].
What is the InChIKey of 2,6-dimethylbenzene-4-id-1-amine;yttrium?
The InChIKey is ZSDDHLWQVMQLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.Y/c1-6-4-3-5-7(2)8(6)9;/h4-5H,9H2,1-2H3;/q-1;.
What are the key properties of 2,6-dimethylbenzene-4-id-1-amine;yttrium?
2,6-dimethylbenzene-4-id-1-amine;yttrium has a molecular weight of 209.08 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylbenzene-4-id-1-amine;yttrium is sourced from PubChem (CID 58697474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).