1,2,3-triethyl-1,2-dimethylaziridin-1-ium

C10H22N+ — CID 91077501

IUPAC1,2,3-triethyl-1,2-dimethylaziridin-1-ium
SMILESCCC1C(C)(CC)[N+]1(C)CC
InChIInChI=1S/C10H22N/c1-6-9-10(4,7-2)11(9,5)8-3/h9H,6-8H2,1-5H3/q+1
InChIKeyJPOBNEPMODPPPJ-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.41
Rot. Bonds3

About 1,2,3-triethyl-1,2-dimethylaziridin-1-ium

1,2,3-triethyl-1,2-dimethylaziridin-1-ium (PubChem CID 91077501) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is 1,2,3-triethyl-1,2-dimethylaziridin-1-ium.

Molecular Properties

Compound Name1,2,3-triethyl-1,2-dimethylaziridin-1-ium
PubChem CID91077501
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Name1,2,3-triethyl-1,2-dimethylaziridin-1-ium
SMILESCCC1C(C)(CC)[N+]1(C)CC
InChIInChI=1S/C10H22N/c1-6-9-10(4,7-2)11(9,5)8-3/h9H,6-8H2,1-5H3/q+1
InChIKeyJPOBNEPMODPPPJ-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-triethyl-1,2-dimethylaziridin-1-ium?
The IUPAC name of 1,2,3-triethyl-1,2-dimethylaziridin-1-ium (CID 91077501) is 1,2,3-triethyl-1,2-dimethylaziridin-1-ium.
What is the SMILES notation for 1,2,3-triethyl-1,2-dimethylaziridin-1-ium?
The canonical SMILES for 1,2,3-triethyl-1,2-dimethylaziridin-1-ium is CCC1C(C)(CC)[N+]1(C)CC.
What is the InChIKey of 1,2,3-triethyl-1,2-dimethylaziridin-1-ium?
The InChIKey is JPOBNEPMODPPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-6-9-10(4,7-2)11(9,5)8-3/h9H,6-8H2,1-5H3/q+1.
What are the key properties of 1,2,3-triethyl-1,2-dimethylaziridin-1-ium?
1,2,3-triethyl-1,2-dimethylaziridin-1-ium has a molecular weight of 156.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triethyl-1,2-dimethylaziridin-1-ium is sourced from PubChem (CID 91077501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).