2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone

C12H23N3O — CID 63167256

IUPAC2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
SMILESCCNCC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C12H23N3O/c1-2-13-9-12(16)15-8-5-11(10-15)14-6-3-4-7-14/h11,13H,2-10H2,1H3
InChIKeyNYXFAOHKZXYPRF-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds4

About 2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone

2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 63167256) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
PubChem CID63167256
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
SMILESCCNCC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C12H23N3O/c1-2-13-9-12(16)15-8-5-11(10-15)14-6-3-4-7-14/h11,13H,2-10H2,1H3
InChIKeyNYXFAOHKZXYPRF-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63167293
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143060
3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 62837626
N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143190
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(butan-2-ylamino)ethanone
CID 55164061
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone (CID 63167256) is 2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone is CCNCC(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is NYXFAOHKZXYPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-13-9-12(16)15-8-5-11(10-15)14-6-3-4-7-14/h11,13H,2-10H2,1H3.
What are the key properties of 2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone?
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 63167256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).