2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one

C14H27NO2 — CID 81074044

IUPAC2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
SMILESCCOCCN(C)CC1CC(CC)CCC1=O
InChIInChI=1S/C14H27NO2/c1-4-12-6-7-14(16)13(10-12)11-15(3)8-9-17-5-2/h12-13H,4-11H2,1-3H3
InChIKeyVSGLGOFSWMTRLI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds7

About 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one

2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one (PubChem CID 81074044) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
PubChem CID81074044
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
SMILESCCOCCN(C)CC1CC(CC)CCC1=O
InChIInChI=1S/C14H27NO2/c1-4-12-6-7-14(16)13(10-12)11-15(3)8-9-17-5-2/h12-13H,4-11H2,1-3H3
InChIKeyVSGLGOFSWMTRLI-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one
CID 55094973
4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63236972
4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
CID 62612859
4-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-one
CID 62612886
4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612035
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938
4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613388
4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 79312395
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62612233
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one?
The IUPAC name of 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one (CID 81074044) is 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one.
What is the SMILES notation for 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one?
The canonical SMILES for 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one is CCOCCN(C)CC1CC(CC)CCC1=O.
What is the InChIKey of 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one?
The InChIKey is VSGLGOFSWMTRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-12-6-7-14(16)13(10-12)11-15(3)8-9-17-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one?
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one is sourced from PubChem (CID 81074044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).