2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one

C13H25NO2 — CID 63690886

IUPAC2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one
SMILESCCOCCN(CC)CC1CCCCC1=O
InChIInChI=1S/C13H25NO2/c1-3-14(9-10-16-4-2)11-12-7-5-6-8-13(12)15/h12H,3-11H2,1-2H3
InChIKeyNGKXFNWXXLHTJM-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds7

About 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one

2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one (PubChem CID 63690886) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one
PubChem CID63690886
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one
SMILESCCOCCN(CC)CC1CCCCC1=O
InChIInChI=1S/C13H25NO2/c1-3-14(9-10-16-4-2)11-12-7-5-6-8-13(12)15/h12H,3-11H2,1-2H3
InChIKeyNGKXFNWXXLHTJM-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one (CID 63690886) is 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one is CCOCCN(CC)CC1CCCCC1=O.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is NGKXFNWXXLHTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-14(9-10-16-4-2)11-12-7-5-6-8-13(12)15/h12H,3-11H2,1-2H3.
What are the key properties of 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one?
2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 63690886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).