2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone

C12H21NO2 — CID 104750663

IUPAC2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCN(CC(=O)C1CCOC1)CC1CCC1
InChIInChI=1S/C12H21NO2/c1-13(7-10-3-2-4-10)8-12(14)11-5-6-15-9-11/h10-11H,2-9H2,1H3
InChIKeyCIRJBHALEDFVPU-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.32
Rot. Bonds5

About 2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone

2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone (PubChem CID 104750663) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone
PubChem CID104750663
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCN(CC(=O)C1CCOC1)CC1CCC1
InChIInChI=1S/C12H21NO2/c1-13(7-10-3-2-4-10)8-12(14)11-5-6-15-9-11/h10-11H,2-9H2,1H3
InChIKeyCIRJBHALEDFVPU-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone
CID 114950415
2-[methyl-[2-(methylamino)ethyl]amino]-1-(oxolan-3-yl)ethanone
CID 104750828
2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750164
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 62862391
2-(dipropylamino)-1-(oxolan-3-yl)ethanone
CID 104749952
2-[methyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750414
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 113448833
2-(dimethylamino)-1-(oxan-4-yl)ethanone
CID 79077529
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone
CID 104750436

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone (CID 104750663) is 2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone is CN(CC(=O)C1CCOC1)CC1CCC1.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is CIRJBHALEDFVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13(7-10-3-2-4-10)8-12(14)11-5-6-15-9-11/h10-11H,2-9H2,1H3.
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone?
2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 211.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104750663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).