2-dodecoxy-N-(2-dodecoxyethyl)ethanamine

C28H59NO2 — CID 54064228

IUPAC2-dodecoxy-N-(2-dodecoxyethyl)ethanamine
SMILESCCCCCCCCCCCCOCCNCCOCCCCCCCCCCCC
InChIInChI=1S/C28H59NO2/c1-3-5-7-9-11-13-15-17-19-21-25-30-27-23-29-24-28-31-26-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3
InChIKeyORNLQJOQYNLYMU-UHFFFAOYSA-N
MW441.79 g/mol
LogP8.45
Rot. Bonds28

About 2-dodecoxy-N-(2-dodecoxyethyl)ethanamine

2-dodecoxy-N-(2-dodecoxyethyl)ethanamine (PubChem CID 54064228) has the molecular formula C28H59NO2 and a molecular weight of 441.79 g/mol. Its IUPAC name is 2-dodecoxy-N-(2-dodecoxyethyl)ethanamine.

Molecular Properties

Compound Name2-dodecoxy-N-(2-dodecoxyethyl)ethanamine
PubChem CID54064228
Molecular FormulaC28H59NO2
Molecular Weight441.79 g/mol
Exact Mass441.45
IUPAC Name2-dodecoxy-N-(2-dodecoxyethyl)ethanamine
SMILESCCCCCCCCCCCCOCCNCCOCCCCCCCCCCCC
InChIInChI=1S/C28H59NO2/c1-3-5-7-9-11-13-15-17-19-21-25-30-27-23-29-24-28-31-26-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3
InChIKeyORNLQJOQYNLYMU-UHFFFAOYSA-N
XLogP8.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
Bis(2-octyloxyethyl)amine
CID 14205548
2-nonoxy-N-(2-nonoxyethyl)ethanamine
CID 14205552
Bis(2-hexyloxyethyl)amine
CID 37981521
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-dodecoxy-N-(2-dodecoxyethyl)ethanamine?
The IUPAC name of 2-dodecoxy-N-(2-dodecoxyethyl)ethanamine (CID 54064228) is 2-dodecoxy-N-(2-dodecoxyethyl)ethanamine.
What is the SMILES notation for 2-dodecoxy-N-(2-dodecoxyethyl)ethanamine?
The canonical SMILES for 2-dodecoxy-N-(2-dodecoxyethyl)ethanamine is CCCCCCCCCCCCOCCNCCOCCCCCCCCCCCC.
What is the InChIKey of 2-dodecoxy-N-(2-dodecoxyethyl)ethanamine?
The InChIKey is ORNLQJOQYNLYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO2/c1-3-5-7-9-11-13-15-17-19-21-25-30-27-23-29-24-28-31-26-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3.
What are the key properties of 2-dodecoxy-N-(2-dodecoxyethyl)ethanamine?
2-dodecoxy-N-(2-dodecoxyethyl)ethanamine has a molecular weight of 441.79 g/mol, XLogP of 8.45, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxy-N-(2-dodecoxyethyl)ethanamine is sourced from PubChem (CID 54064228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).