1,2-diethyl-1-methylaziridin-1-ium

C7H16N+ — CID 91196823

IUPAC1,2-diethyl-1-methylaziridin-1-ium
SMILESCCC1C[N+]1(C)CC
InChIInChI=1S/C7H16N/c1-4-7-6-8(7,3)5-2/h7H,4-6H2,1-3H3/q+1
InChIKeyNEOTZILHPCWMQM-UHFFFAOYSA-N
MW114.21 g/mol
LogP1.25
Rot. Bonds2

About 1,2-diethyl-1-methylaziridin-1-ium

1,2-diethyl-1-methylaziridin-1-ium (PubChem CID 91196823) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is 1,2-diethyl-1-methylaziridin-1-ium.

Molecular Properties

Compound Name1,2-diethyl-1-methylaziridin-1-ium
PubChem CID91196823
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Name1,2-diethyl-1-methylaziridin-1-ium
SMILESCCC1C[N+]1(C)CC
InChIInChI=1S/C7H16N/c1-4-7-6-8(7,3)5-2/h7H,4-6H2,1-3H3/q+1
InChIKeyNEOTZILHPCWMQM-UHFFFAOYSA-N
XLogP1.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 51.25
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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Related Compounds

(1R)-3-butan-2-yl-1,5-diethyl-1-methylimidazolidin-1-ium
CID 162289175
3-ethyl-1,1-dimethylazetidin-1-ium
CID 130263001
3,4-bis[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-1,1-dimethylpyrrolidin-1-ium
CID 58611498
3,5-diethyl-1,1-dimethylimidazolidin-1-ium
CID 162289817
4-ethyl-1,2,2-trimethyl-1-propylazetidin-1-ium
CID 123319500
4-butyl-3-ethyl-4-methylmorpholin-4-ium
CID 150541996
(1,1-dimethylaziridin-1-ium-2-yl)methanamine
CID 118384303
1-butyl-1,2-dimethylaziridin-1-ium
CID 123689120
(1R)-1,3,4-triethyl-1-methylimidazolidin-1-ium
CID 162289808
4-ethyl-1-methyl-1-propylpyrazolidin-1-ium
CID 174168545
1-[(4R)-1-amino-2-ethyl-4-methylazetidin-1-ium-1-yl]ethanone
CID 174086316
2-ethyl-1-methyl-1-propoxypyrrolidin-1-ium
CID 87323895

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1-methylaziridin-1-ium?
The IUPAC name of 1,2-diethyl-1-methylaziridin-1-ium (CID 91196823) is 1,2-diethyl-1-methylaziridin-1-ium.
What is the SMILES notation for 1,2-diethyl-1-methylaziridin-1-ium?
The canonical SMILES for 1,2-diethyl-1-methylaziridin-1-ium is CCC1C[N+]1(C)CC.
What is the InChIKey of 1,2-diethyl-1-methylaziridin-1-ium?
The InChIKey is NEOTZILHPCWMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N/c1-4-7-6-8(7,3)5-2/h7H,4-6H2,1-3H3/q+1.
What are the key properties of 1,2-diethyl-1-methylaziridin-1-ium?
1,2-diethyl-1-methylaziridin-1-ium has a molecular weight of 114.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1-methylaziridin-1-ium is sourced from PubChem (CID 91196823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).