6-[2-ethoxyethyl(methyl)amino]hexanoic acid

C11H23NO3 — CID 81057778

IUPAC6-[2-ethoxyethyl(methyl)amino]hexanoic acid
SMILESCCOCCN(C)CCCCCC(=O)O
InChIInChI=1S/C11H23NO3/c1-3-15-10-9-12(2)8-6-4-5-7-11(13)14/h3-10H2,1-2H3,(H,13,14)
InChIKeySBHQLUKPJPQEAB-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds10

About 6-[2-ethoxyethyl(methyl)amino]hexanoic acid

6-[2-ethoxyethyl(methyl)amino]hexanoic acid (PubChem CID 81057778) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-[2-ethoxyethyl(methyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[2-ethoxyethyl(methyl)amino]hexanoic acid
PubChem CID81057778
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name6-[2-ethoxyethyl(methyl)amino]hexanoic acid
SMILESCCOCCN(C)CCCCCC(=O)O
InChIInChI=1S/C11H23NO3/c1-3-15-10-9-12(2)8-6-4-5-7-11(13)14/h3-10H2,1-2H3,(H,13,14)
InChIKeySBHQLUKPJPQEAB-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[2-ethoxyethyl(methyl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
N-methyl-N-propylhexan-1-amine;octadecanoic acid
CID 166652568
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
8-[2-hydroxyethyl(methyl)amino]octanoic acid
CID 170273809
8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810
8-[methyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid
CID 135329649
3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
CID 170368150
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
copper;bis(3-[methyl(octadecyl)amino]propanoic acid)
CID 88802515
CID 155195867
CID 155195867
8-ethoxy-6-oxooctanoic acid
CID 154310113
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568

Frequently Asked Questions

What is the IUPAC name of 6-[2-ethoxyethyl(methyl)amino]hexanoic acid?
The IUPAC name of 6-[2-ethoxyethyl(methyl)amino]hexanoic acid (CID 81057778) is 6-[2-ethoxyethyl(methyl)amino]hexanoic acid.
What is the SMILES notation for 6-[2-ethoxyethyl(methyl)amino]hexanoic acid?
The canonical SMILES for 6-[2-ethoxyethyl(methyl)amino]hexanoic acid is CCOCCN(C)CCCCCC(=O)O.
What is the InChIKey of 6-[2-ethoxyethyl(methyl)amino]hexanoic acid?
The InChIKey is SBHQLUKPJPQEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-15-10-9-12(2)8-6-4-5-7-11(13)14/h3-10H2,1-2H3,(H,13,14).
What are the key properties of 6-[2-ethoxyethyl(methyl)amino]hexanoic acid?
6-[2-ethoxyethyl(methyl)amino]hexanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethoxyethyl(methyl)amino]hexanoic acid is sourced from PubChem (CID 81057778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).