2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine

C12H27NO3 — CID 86007346

IUPAC2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine
SMILESCCCCOCCOCCOCCNCC
InChIInChI=1S/C12H27NO3/c1-3-5-7-14-9-11-16-12-10-15-8-6-13-4-2/h13H,3-12H2,1-2H3
InChIKeyXNBNMLZWPDAAKL-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.45
Rot. Bonds13

About 2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine

2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine (PubChem CID 86007346) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine
PubChem CID86007346
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine
SMILESCCCCOCCOCCOCCNCC
InChIInChI=1S/C12H27NO3/c1-3-5-7-14-9-11-16-12-10-15-8-6-13-4-2/h13H,3-12H2,1-2H3
InChIKeyXNBNMLZWPDAAKL-UHFFFAOYSA-N
XLogP1.45
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4,10-Trioxa-7,13-diazacyclopentadecane
CID 123435
Diaza-18-crown-6
CID 72805
1,4,7,13-Tetraoxa-10,16-diaza-cyclooctadecane
CID 4212960
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane
CID 118578
1,4,7,10-Tetraoxa-13-azacyclopentadecane
CID 544820
1,4,7-Trioxa-10-azacyclododecane
CID 545817
2-Propanamine, N-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)-2-methyl-
CID 86260607
1,4,7,13,16-Pentaoxa-10,19-diazacyclohenicosane
CID 90322
Bis(2-ethoxyethyl)amine
CID 547396
Poly(oxy-1,2-ethanediyl), alpha-(2-(methylamino)ethyl)-omega-(2-(methylamino)ethoxy)-
CID 91958
1-(2-(2-Aminoethoxy)ethoxy)butane
CID 237344
Bis(2-(2-methoxyethoxy)ethyl)amine
CID 79808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine (CID 86007346) is 2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine is CCCCOCCOCCOCCNCC.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine?
The InChIKey is XNBNMLZWPDAAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-3-5-7-14-9-11-16-12-10-15-8-6-13-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine?
2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine has a molecular weight of 233.35 g/mol, XLogP of 1.45, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]-N-ethylethanamine is sourced from PubChem (CID 86007346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).