2-octoxy-N-(2-octoxyethyl)ethanamine

C20H43NO2 — CID 14205548

IUPAC2-octoxy-N-(2-octoxyethyl)ethanamine
SMILESCCCCCCCCOCCNCCOCCCCCCCC
InChIInChI=1S/C20H43NO2/c1-3-5-7-9-11-13-17-22-19-15-21-16-20-23-18-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3
InChIKeyXUEFXTQYOAZXOP-UHFFFAOYSA-N
MW329.57 g/mol
LogP5.33
Rot. Bonds20

About 2-octoxy-N-(2-octoxyethyl)ethanamine

2-octoxy-N-(2-octoxyethyl)ethanamine (PubChem CID 14205548) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-octoxy-N-(2-octoxyethyl)ethanamine.

Molecular Properties

Compound Name2-octoxy-N-(2-octoxyethyl)ethanamine
PubChem CID14205548
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name2-octoxy-N-(2-octoxyethyl)ethanamine
SMILESCCCCCCCCOCCNCCOCCCCCCCC
InChIInChI=1S/C20H43NO2/c1-3-5-7-9-11-13-17-22-19-15-21-16-20-23-18-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3
InChIKeyXUEFXTQYOAZXOP-UHFFFAOYSA-N
XLogP5.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-octoxy-N-(2-octoxyethyl)ethanamine 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

2-(2-(Dodecyloxy)-ethoxy)-ethylamine
CID 4425284
3-[2-[2-(3-Aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine
CID 15664447
2-Hexadecoxyethanamine
CID 17914362
2-Tetradecoxyethanamine
CID 18672783
Bis-(2-decyloxy-ethyl)-amine
CID 6421831
13,22-Diaza-7,10,16,19,25,28-hexaoxatetratriacontane
CID 630498
2-nonoxy-N-(2-nonoxyethyl)ethanamine
CID 14205552
Bis(2-hexyloxyethyl)amine
CID 37981521
Bis-(2-lauroxyethyl)amine
CID 54064228
2-tetradecoxy-N-(2-tetradecoxyethyl)ethanamine
CID 88888821
2-hexadecoxy-N-(2-hexadecoxyethyl)ethanamine
CID 89427424
2-Octadecoxyethanamine
CID 18672810

Frequently Asked Questions

What is the IUPAC name of 2-octoxy-N-(2-octoxyethyl)ethanamine?
The IUPAC name of 2-octoxy-N-(2-octoxyethyl)ethanamine (CID 14205548) is 2-octoxy-N-(2-octoxyethyl)ethanamine.
What is the SMILES notation for 2-octoxy-N-(2-octoxyethyl)ethanamine?
The canonical SMILES for 2-octoxy-N-(2-octoxyethyl)ethanamine is CCCCCCCCOCCNCCOCCCCCCCC.
What is the InChIKey of 2-octoxy-N-(2-octoxyethyl)ethanamine?
The InChIKey is XUEFXTQYOAZXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-3-5-7-9-11-13-17-22-19-15-21-16-20-23-18-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3.
What are the key properties of 2-octoxy-N-(2-octoxyethyl)ethanamine?
2-octoxy-N-(2-octoxyethyl)ethanamine has a molecular weight of 329.57 g/mol, XLogP of 5.33, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxy-N-(2-octoxyethyl)ethanamine is sourced from PubChem (CID 14205548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).