2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one

C11H22N2O2 — CID 62338415

IUPAC2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCNCCOC(C)C(=O)N1CCCC1
InChIInChI=1S/C11H22N2O2/c1-3-12-6-9-15-10(2)11(14)13-7-4-5-8-13/h10,12H,3-9H2,1-2H3
InChIKeyIJGXCOGUAKIKTN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds6

About 2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one

2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 62338415) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID62338415
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCNCCOC(C)C(=O)N1CCCC1
InChIInChI=1S/C11H22N2O2/c1-3-12-6-9-15-10(2)11(14)13-7-4-5-8-13/h10,12H,3-9H2,1-2H3
InChIKeyIJGXCOGUAKIKTN-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-1-yl-2-[2-(propylamino)ethoxy]propan-1-one
CID 55060507
1-(azocan-1-yl)-2-but-3-enoxypropan-1-one
CID 86849553
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119648320
1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
(2R)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 51943619
2-[2-(ethylamino)ethoxy]-N-pentan-2-ylpropanamide
CID 62336105
2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 86990301
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] acetate
CID 168848786
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one (CID 62338415) is 2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one is CCNCCOC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IJGXCOGUAKIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-12-6-9-15-10(2)11(14)13-7-4-5-8-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one?
2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 62338415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).