2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol

C13H28N2O — CID 114800154

IUPAC2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
SMILESCCC(CC)(CN)CN1CCC(CCO)C1
InChIInChI=1S/C13H28N2O/c1-3-13(4-2,10-14)11-15-7-5-12(9-15)6-8-16/h12,16H,3-11,14H2,1-2H3
InChIKeyRMAZVGLCWRGAFT-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.46
Rot. Bonds7

About 2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol

2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol (PubChem CID 114800154) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
PubChem CID114800154
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
SMILESCCC(CC)(CN)CN1CCC(CCO)C1
InChIInChI=1S/C13H28N2O/c1-3-13(4-2,10-14)11-15-7-5-12(9-15)6-8-16/h12,16H,3-11,14H2,1-2H3
InChIKeyRMAZVGLCWRGAFT-UHFFFAOYSA-N
XLogP1.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol
CID 114800052
2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol
CID 107229026
2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylbutanal
CID 114800024
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 114800023
[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol
CID 112629027
[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
CID 112629064
2-ethyl-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]butan-1-ol
CID 62272730
2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
CID 107228972
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol
CID 114800051
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol (CID 114800154) is 2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol is CCC(CC)(CN)CN1CCC(CCO)C1.
What is the InChIKey of 2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol?
The InChIKey is RMAZVGLCWRGAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-13(4-2,10-14)11-15-7-5-12(9-15)6-8-16/h12,16H,3-11,14H2,1-2H3.
What are the key properties of 2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol?
2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114800154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).