2,6-diethyl-4-methylbenzenediazonium

C11H15N2+ — CID 20674062

IUPAC2,6-diethyl-4-methylbenzenediazonium
SMILESCCc1cc(C)cc(CC)c1[N+]#N
InChIInChI=1S/C11H15N2/c1-4-9-6-8(3)7-10(5-2)11(9)13-12/h6-7H,4-5H2,1-3H3/q+1
InChIKeyWTGNRZPLNSGJKY-UHFFFAOYSA-N
MW175.25 g/mol
LogP3.60
Rot. Bonds2

About 2,6-diethyl-4-methylbenzenediazonium

2,6-diethyl-4-methylbenzenediazonium (PubChem CID 20674062) has the molecular formula C11H15N2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 2,6-diethyl-4-methylbenzenediazonium.

Molecular Properties

Compound Name2,6-diethyl-4-methylbenzenediazonium
PubChem CID20674062
Molecular FormulaC11H15N2+
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name2,6-diethyl-4-methylbenzenediazonium
SMILESCCc1cc(C)cc(CC)c1[N+]#N
InChIInChI=1S/C11H15N2/c1-4-9-6-8(3)7-10(5-2)11(9)13-12/h6-7H,4-5H2,1-3H3/q+1
InChIKeyWTGNRZPLNSGJKY-UHFFFAOYSA-N
XLogP3.60
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-methylbenzenediazonium?
The IUPAC name of 2,6-diethyl-4-methylbenzenediazonium (CID 20674062) is 2,6-diethyl-4-methylbenzenediazonium.
What is the SMILES notation for 2,6-diethyl-4-methylbenzenediazonium?
The canonical SMILES for 2,6-diethyl-4-methylbenzenediazonium is CCc1cc(C)cc(CC)c1[N+]#N.
What is the InChIKey of 2,6-diethyl-4-methylbenzenediazonium?
The InChIKey is WTGNRZPLNSGJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2/c1-4-9-6-8(3)7-10(5-2)11(9)13-12/h6-7H,4-5H2,1-3H3/q+1.
What are the key properties of 2,6-diethyl-4-methylbenzenediazonium?
2,6-diethyl-4-methylbenzenediazonium has a molecular weight of 175.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-methylbenzenediazonium is sourced from PubChem (CID 20674062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).