2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten

C10H14NW2- — CID 59646270

IUPAC2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten
SMILESCc1[c-]c(N)c(C)c(C)c1C.[W].[W]
InChIInChI=1S/C10H14N.2W/c1-6-5-10(11)9(4)8(3)7(6)2;;/h11H2,1-4H3;;/q-1;;
InChIKeyPETZQRKEGGSGLF-UHFFFAOYSA-N
MW515.91 g/mol
LogP2.30
Rot. Bonds

About 2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten

2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten (PubChem CID 59646270) has the molecular formula C10H14NW2- and a molecular weight of 515.91 g/mol. Its IUPAC name is 2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten.

Molecular Properties

Compound Name2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten
PubChem CID59646270
Molecular FormulaC10H14NW2-
Molecular Weight515.91 g/mol
Exact Mass516.02
IUPAC Name2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten
SMILESCc1[c-]c(N)c(C)c(C)c1C.[W].[W]
InChIInChI=1S/C10H14N.2W/c1-6-5-10(11)9(4)8(3)7(6)2;;/h11H2,1-4H3;;/q-1;;
InChIKeyPETZQRKEGGSGLF-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.91
LogP ≤ 52.30
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 2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten?
The IUPAC name of 2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten (CID 59646270) is 2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten.
What is the SMILES notation for 2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten?
The canonical SMILES for 2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten is Cc1[c-]c(N)c(C)c(C)c1C.[W].[W].
What is the InChIKey of 2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten?
The InChIKey is PETZQRKEGGSGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.2W/c1-6-5-10(11)9(4)8(3)7(6)2;;/h11H2,1-4H3;;/q-1;;.
What are the key properties of 2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten?
2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten has a molecular weight of 515.91 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethylbenzene-6-id-1-amine;tungsten is sourced from PubChem (CID 59646270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).