1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine

C12H23NO2 — CID 79189022

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine
SMILESCC1CN(CCC2OCCCO2)CC1C
InChIInChI=1S/C12H23NO2/c1-10-8-13(9-11(10)2)5-4-12-14-6-3-7-15-12/h10-12H,3-9H2,1-2H3
InChIKeySRGMUBOGENQPMJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.73
Rot. Bonds3

About 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine

1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine (PubChem CID 79189022) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine
PubChem CID79189022
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine
SMILESCC1CN(CCC2OCCCO2)CC1C
InChIInChI=1S/C12H23NO2/c1-10-8-13(9-11(10)2)5-4-12-14-6-3-7-15-12/h10-12H,3-9H2,1-2H3
InChIKeySRGMUBOGENQPMJ-UHFFFAOYSA-N
XLogP1.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine 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-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine (CID 79189022) is 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine is CC1CN(CCC2OCCCO2)CC1C.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine?
The InChIKey is SRGMUBOGENQPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-8-13(9-11(10)2)5-4-12-14-6-3-7-15-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine?
1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine has a molecular weight of 213.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine is sourced from PubChem (CID 79189022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).