1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol

C12H25NO2 — CID 115688731

IUPAC1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
SMILESCCOCC(O)CN1CCC(C(C)C)C1
InChIInChI=1S/C12H25NO2/c1-4-15-9-12(14)8-13-6-5-11(7-13)10(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyDGESITUPQLSRLU-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.36
Rot. Bonds6

About 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol

1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol (PubChem CID 115688731) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
PubChem CID115688731
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
SMILESCCOCC(O)CN1CCC(C(C)C)C1
InChIInChI=1S/C12H25NO2/c1-4-15-9-12(14)8-13-6-5-11(7-13)10(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyDGESITUPQLSRLU-UHFFFAOYSA-N
XLogP1.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol 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-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 115773094
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
1-cyclopentyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 103160187
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
CID 79038151
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol
CID 63554954
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
1-ethoxy-3-[4-(propylamino)piperidin-1-yl]propan-2-ol
CID 63932707

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol (CID 115688731) is 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol is CCOCC(O)CN1CCC(C(C)C)C1.
What is the InChIKey of 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is DGESITUPQLSRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-15-9-12(14)8-13-6-5-11(7-13)10(2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol?
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 115688731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).