2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine

C8H17N3 — CID 137229858

IUPAC2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine
SMILESCC/N=C1\NC1CCN(C)C
InChIInChI=1S/C8H17N3/c1-4-9-8-7(10-8)5-6-11(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyQGDZIDLXKCFJQO-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.33
Rot. Bonds4

About 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine

2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine (PubChem CID 137229858) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine
PubChem CID137229858
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine
SMILESCC/N=C1\NC1CCN(C)C
InChIInChI=1S/C8H17N3/c1-4-9-8-7(10-8)5-6-11(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyQGDZIDLXKCFJQO-UHFFFAOYSA-N
XLogP0.33
TPSA37.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine 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 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine (CID 137229858) is 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine is CC/N=C1\NC1CCN(C)C.
What is the InChIKey of 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine?
The InChIKey is QGDZIDLXKCFJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-9-8-7(10-8)5-6-11(2)3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine?
2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine has a molecular weight of 155.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyliminoaziridin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 137229858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).