2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine

C13H25N3O2 — CID 113435450

IUPAC2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(CC(C)C(C)(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-6-17-8-10(14)12-15-11(18-16-12)7-9(2)13(3,4)5/h9-10H,6-8,14H2,1-5H3
InChIKeyJDAHRIJJJIPMKQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.33
Rot. Bonds6

About 2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 113435450) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID113435450
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(CC(C)C(C)(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-6-17-8-10(14)12-15-11(18-16-12)7-9(2)13(3,4)5/h9-10H,6-8,14H2,1-5H3
InChIKeyJDAHRIJJJIPMKQ-UHFFFAOYSA-N
XLogP2.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine 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-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 113435450) is 2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine is CCOCC(N)c1noc(CC(C)C(C)(C)C)n1.
What is the InChIKey of 2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is JDAHRIJJJIPMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-6-17-8-10(14)12-15-11(18-16-12)7-9(2)13(3,4)5/h9-10H,6-8,14H2,1-5H3.
What are the key properties of 2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 113435450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).