1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone

C11H23N3O2 — CID 79281115

IUPAC1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C11H23N3O2/c1-13(2)10-4-6-14(9-10)11(15)8-12-5-7-16-3/h10,12H,4-9H2,1-3H3
InChIKeyOUVAKIWSEITBRL-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.62
Rot. Bonds6

About 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone

1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone (PubChem CID 79281115) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
PubChem CID79281115
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C11H23N3O2/c1-13(2)10-4-6-14(9-10)11(15)8-12-5-7-16-3/h10,12H,4-9H2,1-3H3
InChIKeyOUVAKIWSEITBRL-UHFFFAOYSA-N
XLogP-0.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 112625104
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(2-methoxyethylamino)ethanone
CID 78914134
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone
CID 115739175
1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 103811077
2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
CID 119807853

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone (CID 79281115) is 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCC(N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The InChIKey is OUVAKIWSEITBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-13(2)10-4-6-14(9-10)11(15)8-12-5-7-16-3/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone has a molecular weight of 229.32 g/mol, XLogP of -0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 79281115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).