1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol

C11H23NO — CID 130683657

IUPAC1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
SMILESCCC1C(C)CCN1CC(C)(C)O
InChIInChI=1S/C11H23NO/c1-5-10-9(2)6-7-12(10)8-11(3,4)13/h9-10,13H,5-8H2,1-4H3
InChIKeyZXLOURBHIMQEDT-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds3

About 1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol

1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol (PubChem CID 130683657) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
PubChem CID130683657
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
SMILESCCC1C(C)CCN1CC(C)(C)O
InChIInChI=1S/C11H23NO/c1-5-10-9(2)6-7-12(10)8-11(3,4)13/h9-10,13H,5-8H2,1-4H3
InChIKeyZXLOURBHIMQEDT-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diethyl-3-methylpyrrolidine;hydrofluoride
CID 175583958
[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 102787854
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 102789651
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
2-ethyl-3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 170768549
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol
CID 127007454
1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane
CID 177054111
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 82503310
[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789630
tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
CID 115537592
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-methylpropan-2-ol
CID 114499279

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol (CID 130683657) is 1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol is CCC1C(C)CCN1CC(C)(C)O.
What is the InChIKey of 1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol?
The InChIKey is ZXLOURBHIMQEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10-9(2)6-7-12(10)8-11(3,4)13/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol?
1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 130683657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).