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

C8H10NW5- — CID 58623535

IUPAC2,6-dimethylbenzene-4-id-1-amine;tungsten
SMILESCc1c[c-]cc(C)c1N.[W].[W].[W].[W].[W]
InChIInChI=1S/C8H10N.5W/c1-6-4-3-5-7(2)8(6)9;;;;;/h4-5H,9H2,1-2H3;;;;;/q-1;;;;;
InChIKeyNOKWSFPMIBDHKJ-UHFFFAOYSA-N
MW1039.37 g/mol
LogP1.67
Rot. Bonds

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

2,6-dimethylbenzene-4-id-1-amine;tungsten (PubChem CID 58623535) has the molecular formula C8H10NW5- and a molecular weight of 1039.37 g/mol. Its IUPAC name is 2,6-dimethylbenzene-4-id-1-amine;tungsten.

Molecular Properties

Compound Name2,6-dimethylbenzene-4-id-1-amine;tungsten
PubChem CID58623535
Molecular FormulaC8H10NW5-
Molecular Weight1039.37 g/mol
Exact Mass1039.84
IUPAC Name2,6-dimethylbenzene-4-id-1-amine;tungsten
SMILESCc1c[c-]cc(C)c1N.[W].[W].[W].[W].[W]
InChIInChI=1S/C8H10N.5W/c1-6-4-3-5-7(2)8(6)9;;;;;/h4-5H,9H2,1-2H3;;;;;/q-1;;;;;
InChIKeyNOKWSFPMIBDHKJ-UHFFFAOYSA-N
XLogP1.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001039.37
LogP ≤ 51.67
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;tungsten?
The IUPAC name of 2,6-dimethylbenzene-4-id-1-amine;tungsten (CID 58623535) is 2,6-dimethylbenzene-4-id-1-amine;tungsten.
What is the SMILES notation for 2,6-dimethylbenzene-4-id-1-amine;tungsten?
The canonical SMILES for 2,6-dimethylbenzene-4-id-1-amine;tungsten is Cc1c[c-]cc(C)c1N.[W].[W].[W].[W].[W].
What is the InChIKey of 2,6-dimethylbenzene-4-id-1-amine;tungsten?
The InChIKey is NOKWSFPMIBDHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.5W/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;tungsten?
2,6-dimethylbenzene-4-id-1-amine;tungsten has a molecular weight of 1039.37 g/mol, XLogP of 1.67, 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;tungsten is sourced from PubChem (CID 58623535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).