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

C11H23NO2 — CID 115688741

IUPAC1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
SMILESCCOCC(O)CN1CCC(CC)C1
InChIInChI=1S/C11H23NO2/c1-3-10-5-6-12(7-10)8-11(13)9-14-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyIYKDMCCTTNFTPL-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.12
Rot. Bonds6

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

1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol (PubChem CID 115688741) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
PubChem CID115688741
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
SMILESCCOCC(O)CN1CCC(CC)C1
InChIInChI=1S/C11H23NO2/c1-3-10-5-6-12(7-10)8-11(13)9-14-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyIYKDMCCTTNFTPL-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992226
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
CID 79038151
1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol
CID 63554954
1-butoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 107264166
1-(3-ethylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110888545
1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63932403
1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol
CID 132971163

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol (CID 115688741) is 1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol is CCOCC(O)CN1CCC(CC)C1.
What is the InChIKey of 1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is IYKDMCCTTNFTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-10-5-6-12(7-10)8-11(13)9-14-4-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol?
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.12, 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-ethylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 115688741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).