1-ethyl-2-methylaziridine

C5H11N — CID 20705517

IUPAC1-ethyl-2-methylaziridine
SMILESCCN1CC1C
InChIInChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3
InChIKeyDRUOYXQMVSLHAR-UHFFFAOYSA-N
MW85.15 g/mol
LogP0.71
Rot. Bonds1

About 1-ethyl-2-methylaziridine

1-ethyl-2-methylaziridine (PubChem CID 20705517) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is 1-ethyl-2-methylaziridine.

Molecular Properties

Compound Name1-ethyl-2-methylaziridine
PubChem CID20705517
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name1-ethyl-2-methylaziridine
SMILESCCN1CC1C
InChIInChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3
InChIKeyDRUOYXQMVSLHAR-UHFFFAOYSA-N
XLogP0.71
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-methylaziridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylaziridine?
The IUPAC name of 1-ethyl-2-methylaziridine (CID 20705517) is 1-ethyl-2-methylaziridine.
What is the SMILES notation for 1-ethyl-2-methylaziridine?
The canonical SMILES for 1-ethyl-2-methylaziridine is CCN1CC1C.
What is the InChIKey of 1-ethyl-2-methylaziridine?
The InChIKey is DRUOYXQMVSLHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-2-methylaziridine?
1-ethyl-2-methylaziridine has a molecular weight of 85.15 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylaziridine is sourced from PubChem (CID 20705517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).