2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine

C26H56N2O6 — CID 630498

IUPAC2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine
SMILESCCCCCCOCCOCCNCCOCCOCCNCCOCCOCCCCCC
InChIInChI=1S/C26H56N2O6/c1-3-5-7-9-15-29-21-23-31-17-11-27-13-19-33-25-26-34-20-14-28-12-18-32-24-22-30-16-10-8-6-4-2/h27-28H,3-26H2,1-2H3
InChIKeyZXRQOCLKSPLNRF-UHFFFAOYSA-N
MW492.74 g/mol
LogP3.43
Rot. Bonds31

About 2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine

2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine (PubChem CID 630498) has the molecular formula C26H56N2O6 and a molecular weight of 492.74 g/mol. Its IUPAC name is 2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine
PubChem CID630498
Molecular FormulaC26H56N2O6
Molecular Weight492.74 g/mol
Exact Mass492.41
IUPAC Name2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine
SMILESCCCCCCOCCOCCNCCOCCOCCNCCOCCOCCCCCC
InChIInChI=1S/C26H56N2O6/c1-3-5-7-9-15-29-21-23-31-17-11-27-13-19-33-25-26-34-20-14-28-12-18-32-24-22-30-16-10-8-6-4-2/h27-28H,3-26H2,1-2H3
InChIKeyZXRQOCLKSPLNRF-UHFFFAOYSA-N
XLogP3.43
TPSA79.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds31
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.74
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Bis-(2-decyloxy-ethyl)-amine
CID 6421831
1,4,10-Trioxa-7-azacyclohexadecane
CID 171348243
Bis(2-octyloxyethyl)amine
CID 14205548
2-nonoxy-N-(2-nonoxyethyl)ethanamine
CID 14205552
Bis(2-hexyloxyethyl)amine
CID 37981521
Bis-(2-lauroxyethyl)amine
CID 54064228
N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
CID 129177508
n-Decylcryptand
CID 85587026
2-Tetradecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12290783
N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine
CID 14389682
Bis[2-(2-butoxyethoxy)ethyl]amine
CID 20405784
2-[2-(2-propoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 20405803

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine?
The IUPAC name of 2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine (CID 630498) is 2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine.
What is the SMILES notation for 2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine?
The canonical SMILES for 2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine is CCCCCCOCCOCCNCCOCCOCCNCCOCCOCCCCCC.
What is the InChIKey of 2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine?
The InChIKey is ZXRQOCLKSPLNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2O6/c1-3-5-7-9-15-29-21-23-31-17-11-27-13-19-33-25-26-34-20-14-28-12-18-32-24-22-30-16-10-8-6-4-2/h27-28H,3-26H2,1-2H3.
What are the key properties of 2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine?
2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine has a molecular weight of 492.74 g/mol, XLogP of 3.43, 31 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexoxyethoxy)-N-[2-[2-[2-[2-(2-hexoxyethoxy)ethylamino]ethoxy]ethoxy]ethyl]ethanamine is sourced from PubChem (CID 630498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).