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

C12H22N2O2 — CID 135175912

IUPAC2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCCCN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H22N2O2/c1-3-6-13(2)9-12(15)14-7-10-4-5-11(8-14)16-10/h10-11H,3-9H2,1-2H3
InChIKeyRRDXVFRMNKRVAS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.72
Rot. Bonds4

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

2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 135175912) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID135175912
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCCCN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H22N2O2/c1-3-6-13(2)9-12(15)14-7-10-4-5-11(8-14)16-10/h10-11H,3-9H2,1-2H3
InChIKeyRRDXVFRMNKRVAS-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3229427
1-(2-Methylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229572
1-(Azepan-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229577
2-(4-ethyl-1,4-diazepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 53593110
1-{2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl}azepane
CID 131933426
N-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 56806495
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79079805
N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95632777
N-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95632778
2-Fluoro-2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 130165202
1-Methyl-4-{2-oxo-2-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]ethyl}-1,4-diazepane
CID 50963380
2-azepan-1-yl-N-(2-ethoxypropyl)-N-methyl-2-oxoacetamide
CID 56879289

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 135175912) is 2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is CCCN(C)CC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is RRDXVFRMNKRVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-6-13(2)9-12(15)14-7-10-4-5-11(8-14)16-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 135175912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).