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

C12H23NO2 — CID 115685959

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine
SMILESCC1CC(C)N(CCC2OCCCO2)C1
InChIInChI=1S/C12H23NO2/c1-10-8-11(2)13(9-10)5-4-12-14-6-3-7-15-12/h10-12H,3-9H2,1-2H3
InChIKeyPGUZMXFGUOGCTK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds3

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

1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine (PubChem CID 115685959) 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]-2,4-dimethylpyrrolidine.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine
PubChem CID115685959
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine
SMILESCC1CC(C)N(CCC2OCCCO2)C1
InChIInChI=1S/C12H23NO2/c1-10-8-11(2)13(9-10)5-4-12-14-6-3-7-15-12/h10-12H,3-9H2,1-2H3
InChIKeyPGUZMXFGUOGCTK-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine
CID 79189022
5-[2-(1,3-dioxan-2-yl)ethyl]-2-thia-5-azabicyclo[2.2.1]heptane
CID 131026668
4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine
CID 66472120
2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
CID 126995396
1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine
CID 66472905
4-[2-(1,3-dioxan-2-yl)ethyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 66475128
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
3-(1,3-dioxan-2-yl)propane-1,1-diol
CID 144545120
2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine
CID 126995395
1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine
CID 66472524
4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine
CID 66474133
1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpyrrolidine-2,5-dione
CID 66475155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine (CID 115685959) is 1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine is CC1CC(C)N(CCC2OCCCO2)C1.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine?
The InChIKey is PGUZMXFGUOGCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-8-11(2)13(9-10)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]-2,4-dimethylpyrrolidine?
1-[2-(1,3-dioxan-2-yl)ethyl]-2,4-dimethylpyrrolidine has a molecular weight of 213.32 g/mol, XLogP of 1.87, 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]-2,4-dimethylpyrrolidine is sourced from PubChem (CID 115685959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).