2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one

C11H19NO2 — CID 82742473

IUPAC2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one
SMILESCN(C1CCOC1)C1CCCCC1=O
InChIInChI=1S/C11H19NO2/c1-12(9-6-7-14-8-9)10-4-2-3-5-11(10)13/h9-10H,2-8H2,1H3
InChIKeyDTKYVMFERIUKKH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.22
Rot. Bonds2

About 2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one

2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one (PubChem CID 82742473) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one
PubChem CID82742473
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one
SMILESCN(C1CCOC1)C1CCCCC1=O
InChIInChI=1S/C11H19NO2/c1-12(9-6-7-14-8-9)10-4-2-3-5-11(10)13/h9-10H,2-8H2,1H3
InChIKeyDTKYVMFERIUKKH-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Morpholinyl)cyclohexanone
CID 12292874
2-[(4-Fluorooxolan-3-yl)amino]cyclohexan-1-one
CID 126856366
1-(4-Ethoxy-1-methylpyrrolidin-2-yl)ethanone
CID 57539588
4-[2-Methoxyethyl(methyl)amino]cyclohexan-1-one
CID 79120255
1-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethanone
CID 90142706
1-[(2S,3R)-3-ethoxy-1-methylpyrrolidin-2-yl]ethanone
CID 90142709
1-[(2S,4S)-4-ethoxy-1-methylpyrrolidin-2-yl]ethanone
CID 90142712
1-[(2S,3S)-3-ethoxy-1-methylpyrrolidin-2-yl]ethanone
CID 90142714
4-[Ethyl(2-methoxyethyl)amino]cyclohexan-1-one
CID 114762091
1-[(2S,4R)-1-methyl-4-propoxypyrrolidin-2-yl]ethanone
CID 117650719
1-[(3S)-3-ethoxy-1-methylpyrrolidin-2-yl]ethanone
CID 135173461
Ethane;4-[2-methoxyethyl(methyl)amino]cyclohexan-1-one
CID 142345916

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one?
The IUPAC name of 2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one (CID 82742473) is 2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one?
The canonical SMILES for 2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one is CN(C1CCOC1)C1CCCCC1=O.
What is the InChIKey of 2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one?
The InChIKey is DTKYVMFERIUKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12(9-6-7-14-8-9)10-4-2-3-5-11(10)13/h9-10H,2-8H2,1H3.
What are the key properties of 2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one?
2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-3-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 82742473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).