1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol

C11H23NO2 — CID 79038151

IUPAC1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN1CC(C)C(C)C1
InChIInChI=1S/C11H23NO2/c1-4-14-8-11(13)7-12-5-9(2)10(3)6-12/h9-11,13H,4-8H2,1-3H3
InChIKeyIMZSQFKXNVMPFB-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.97
Rot. Bonds5

About 1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol

1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol (PubChem CID 79038151) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
PubChem CID79038151
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN1CC(C)C(C)C1
InChIInChI=1S/C11H23NO2/c1-4-14-8-11(13)7-12-5-9(2)10(3)6-12/h9-11,13H,4-8H2,1-3H3
InChIKeyIMZSQFKXNVMPFB-UHFFFAOYSA-N
XLogP0.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-(3-methylpiperazin-1-yl)propan-2-ol
CID 63554954
1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol
CID 107264251
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 63931756
1-ethoxy-3-[4-(propylamino)piperidin-1-yl]propan-2-ol
CID 63932707
1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
2-(3-ethoxy-2-hydroxypropyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81103665

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol (CID 79038151) is 1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol is CCOCC(O)CN1CC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol?
The InChIKey is IMZSQFKXNVMPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-14-8-11(13)7-12-5-9(2)10(3)6-12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol?
1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol is sourced from PubChem (CID 79038151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).