3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C11H22N2O2 — CID 62839819

IUPAC3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCCC1CO
InChIInChI=1S/C11H22N2O2/c1-3-12-7-9(2)11(15)13-6-4-5-10(13)8-14/h9-10,12,14H,3-8H2,1-2H3
InChIKeyPLELSKGWMGNECP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.22
Rot. Bonds5

About 3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 62839819) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID62839819
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCCC1CO
InChIInChI=1S/C11H22N2O2/c1-3-12-7-9(2)11(15)13-6-4-5-10(13)8-14/h9-10,12,14H,3-8H2,1-2H3
InChIKeyPLELSKGWMGNECP-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 104689693
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
3-(ethylamino)-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83052878
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 12619538
1-[3-(ethylamino)-2-methylpropanoyl]azepane-2-carboxylic acid
CID 64564263
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 66261585
N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 61408944
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79541210
3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 106835868
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 62839819) is 3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one is CCNCC(C)C(=O)N1CCCC1CO.
What is the InChIKey of 3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is PLELSKGWMGNECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-12-7-9(2)11(15)13-6-4-5-10(13)8-14/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 62839819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).