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

C14H25NO2 — CID 104750164

IUPAC2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCC1CCCC(N(C)CC(=O)C2CCOC2)C1
InChIInChI=1S/C14H25NO2/c1-11-4-3-5-13(8-11)15(2)9-14(16)12-6-7-17-10-12/h11-13H,3-10H2,1-2H3
InChIKeyAEYLMFJLHOBKGI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds4

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

2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone (PubChem CID 104750164) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone
PubChem CID104750164
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone
SMILESCC1CCCC(N(C)CC(=O)C2CCOC2)C1
InChIInChI=1S/C14H25NO2/c1-11-4-3-5-13(8-11)15(2)9-14(16)12-6-7-17-10-12/h11-13H,3-10H2,1-2H3
InChIKeyAEYLMFJLHOBKGI-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-(oxolan-3-yl)-2-piperidin-1-ylpropan-1-one
CID 79045977
2-(Diethylamino)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 79053234
2-(Diethylamino)-2-ethyl-1-(oxolan-3-yl)butan-1-one
CID 79061644
2-(Diethylamino)-2-methyl-1-(oxolan-3-yl)butan-1-one
CID 79064122
2-Methyl-1-(oxolan-3-yl)-2-piperidin-1-ylbutan-1-one
CID 79065577
2-[1-(Dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone
CID 103189879
1-(Oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498923
2-[Butyl(methyl)amino]-1-(oxolan-3-yl)ethanone
CID 104749852
2-(Dicyclohexylamino)-1-(oxolan-3-yl)ethanone
CID 104749866
2-[Butyl(ethyl)amino]-1-(oxolan-3-yl)ethanone
CID 104749882
2-[Cyclohexyl(ethyl)amino]-1-(oxolan-3-yl)ethanone
CID 104749894
2-(3,5-Dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone
CID 104749901

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone (CID 104750164) is 2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone is CC1CCCC(N(C)CC(=O)C2CCOC2)C1.
What is the InChIKey of 2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone?
The InChIKey is AEYLMFJLHOBKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-4-3-5-13(8-11)15(2)9-14(16)12-6-7-17-10-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone?
2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methylcyclohexyl)amino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104750164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).