3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one

C11H21NO2 — CID 82742069

IUPAC3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
SMILESCC(C)C(=O)CN(C)C1CCOC1C
InChIInChI=1S/C11H21NO2/c1-8(2)11(13)7-12(4)10-5-6-14-9(10)3/h8-10H,5-7H2,1-4H3
InChIKeyQZUZDYITMBQVHN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds4

About 3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one

3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one (PubChem CID 82742069) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
PubChem CID82742069
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
SMILESCC(C)C(=O)CN(C)C1CCOC1C
InChIInChI=1S/C11H21NO2/c1-8(2)11(13)7-12(4)10-5-6-14-9(10)3/h8-10H,5-7H2,1-4H3
InChIKeyQZUZDYITMBQVHN-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
1-[[(1S,2S)-2-(dimethylamino)cyclohexyl]-methylamino]-3-methylbutan-2-one
CID 171418639
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
methyl 2,2-dimethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-3-oxobutanoate
CID 112752277
butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate
CID 82739857
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742550
1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742948
1-[cyclopentyl(methyl)amino]-3-methylbutan-2-one
CID 79395457
3-methyl-1-[methyl-(4-methylcyclohexyl)amino]butan-2-one
CID 79396284
potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide
CID 106746211

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one?
The IUPAC name of 3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one (CID 82742069) is 3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one.
What is the SMILES notation for 3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one?
The canonical SMILES for 3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one is CC(C)C(=O)CN(C)C1CCOC1C.
What is the InChIKey of 3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one?
The InChIKey is QZUZDYITMBQVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)11(13)7-12(4)10-5-6-14-9(10)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one?
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one is sourced from PubChem (CID 82742069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).