1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol

C12H25NO2 — CID 103358649

IUPAC1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol
SMILESCCC(CC)(CO)CN1CCC(C)(O)C1
InChIInChI=1S/C12H25NO2/c1-4-12(5-2,10-14)9-13-7-6-11(3,15)8-13/h14-15H,4-10H2,1-3H3
InChIKeyORTZXDGJKGSTAJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.24
Rot. Bonds5

About 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol

1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358649) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol
PubChem CID103358649
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol
SMILESCCC(CC)(CO)CN1CCC(C)(O)C1
InChIInChI=1S/C12H25NO2/c1-4-12(5-2,10-14)9-13-7-6-11(3,15)8-13/h14-15H,4-10H2,1-3H3
InChIKeyORTZXDGJKGSTAJ-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-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

2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 62930460
2-[(3,3-dimethoxyazetidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 106253777
1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol
CID 103358482
1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol
CID 81115613
1-(iodomethyl)-3-methylpyrrolidin-3-ol
CID 171074388
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol
CID 103358661
1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol
CID 103358630
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358633
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785
2-ethyl-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]butan-1-ol
CID 62272730
1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol
CID 107408778
1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol
CID 103355608

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol (CID 103358649) is 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol is CCC(CC)(CO)CN1CCC(C)(O)C1.
What is the InChIKey of 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol?
The InChIKey is ORTZXDGJKGSTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-12(5-2,10-14)9-13-7-6-11(3,15)8-13/h14-15H,4-10H2,1-3H3.
What are the key properties of 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol?
1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).