4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one

C12H23NO3 — CID 79120597

IUPAC4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one
SMILESCOCCOCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C12H23NO3/c1-13(7-8-16-10-9-15-2)11-3-5-12(14)6-4-11/h11H,3-10H2,1-2H3
InChIKeyDJGNFBSLWHXZRM-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.09
Rot. Bonds7

About 4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one

4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one (PubChem CID 79120597) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one
PubChem CID79120597
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one
SMILESCOCCOCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C12H23NO3/c1-13(7-8-16-10-9-15-2)11-3-5-12(14)6-4-11/h11H,3-10H2,1-2H3
InChIKeyDJGNFBSLWHXZRM-UHFFFAOYSA-N
XLogP1.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one (CID 79120597) is 4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one is COCCOCCN(C)C1CCC(=O)CC1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one?
The InChIKey is DJGNFBSLWHXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-13(7-8-16-10-9-15-2)11-3-5-12(14)6-4-11/h11H,3-10H2,1-2H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one?
4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one has a molecular weight of 229.32 g/mol, XLogP of 1.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one is sourced from PubChem (CID 79120597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).