2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C13H25NO2 — CID 163656574

IUPAC2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCOC1CN2CCCC2(COC(C)C)C1
InChIInChI=1S/C13H25NO2/c1-4-15-12-8-13(10-16-11(2)3)6-5-7-14(13)9-12/h11-12H,4-10H2,1-3H3
InChIKeyZZEFQEANXTXTHZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.05
Rot. Bonds5

About 2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163656574) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163656574
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCOC1CN2CCCC2(COC(C)C)C1
InChIInChI=1S/C13H25NO2/c1-4-15-12-8-13(10-16-11(2)3)6-5-7-14(13)9-12/h11-12H,4-10H2,1-3H3
InChIKeyZZEFQEANXTXTHZ-UHFFFAOYSA-N
XLogP2.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine 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-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 163656574) is 2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CCOC1CN2CCCC2(COC(C)C)C1.
What is the InChIKey of 2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is ZZEFQEANXTXTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-15-12-8-13(10-16-11(2)3)6-5-7-14(13)9-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 227.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163656574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).