2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone

C17H31N3O — CID 119896702

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCCN(C)CC1CCN(C(=O)CC2CC3CCC(C2)N3)C1
InChIInChI=1S/C17H31N3O/c1-3-19(2)11-13-6-7-20(12-13)17(21)10-14-8-15-4-5-16(9-14)18-15/h13-16,18H,3-12H2,1-2H3
InChIKeyCJQIOPRWAWTKAP-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.71
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 119896702) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
PubChem CID119896702
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCCN(C)CC1CCN(C(=O)CC2CC3CCC(C2)N3)C1
InChIInChI=1S/C17H31N3O/c1-3-19(2)11-13-6-7-20(12-13)17(21)10-14-8-15-4-5-16(9-14)18-15/h13-16,18H,3-12H2,1-2H3
InChIKeyCJQIOPRWAWTKAP-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119895924
1-[(3S)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 95782518
1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111540756
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 79607325
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 79607332
2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 119837500
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79607933
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 119786515
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79614821
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 119867587
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
CID 119807830
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103165089

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone (CID 119896702) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone is CCN(C)CC1CCN(C(=O)CC2CC3CCC(C2)N3)C1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is CJQIOPRWAWTKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-19(2)11-13-6-7-20(12-13)17(21)10-14-8-15-4-5-16(9-14)18-15/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 293.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 119896702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).