(1-ethylimidazol-4-yl)-trimethylazanium

C8H16N3+ — CID 174680519

IUPAC(1-ethylimidazol-4-yl)-trimethylazanium
SMILESCCn1cnc([N+](C)(C)C)c1
InChIInChI=1S/C8H16N3/c1-5-10-6-8(9-7-10)11(2,3)4/h6-7H,5H2,1-4H3/q+1
InChIKeyNGUPYCIYWXASBH-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.10
Rot. Bonds2

About (1-ethylimidazol-4-yl)-trimethylazanium

(1-ethylimidazol-4-yl)-trimethylazanium (PubChem CID 174680519) has the molecular formula C8H16N3+ and a molecular weight of 154.24 g/mol. Its IUPAC name is (1-ethylimidazol-4-yl)-trimethylazanium.

Molecular Properties

Compound Name(1-ethylimidazol-4-yl)-trimethylazanium
PubChem CID174680519
Molecular FormulaC8H16N3+
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC Name(1-ethylimidazol-4-yl)-trimethylazanium
SMILESCCn1cnc([N+](C)(C)C)c1
InChIInChI=1S/C8H16N3/c1-5-10-6-8(9-7-10)11(2,3)4/h6-7H,5H2,1-4H3/q+1
InChIKeyNGUPYCIYWXASBH-UHFFFAOYSA-N
XLogP1.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-4-yl)-trimethylazanium?
The IUPAC name of (1-ethylimidazol-4-yl)-trimethylazanium (CID 174680519) is (1-ethylimidazol-4-yl)-trimethylazanium.
What is the SMILES notation for (1-ethylimidazol-4-yl)-trimethylazanium?
The canonical SMILES for (1-ethylimidazol-4-yl)-trimethylazanium is CCn1cnc([N+](C)(C)C)c1.
What is the InChIKey of (1-ethylimidazol-4-yl)-trimethylazanium?
The InChIKey is NGUPYCIYWXASBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3/c1-5-10-6-8(9-7-10)11(2,3)4/h6-7H,5H2,1-4H3/q+1.
What are the key properties of (1-ethylimidazol-4-yl)-trimethylazanium?
(1-ethylimidazol-4-yl)-trimethylazanium has a molecular weight of 154.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-4-yl)-trimethylazanium is sourced from PubChem (CID 174680519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).