2-[2-(2-ethylhexoxy)ethoxy]ethanamine

C12H27NO2 — CID 103482464

IUPAC2-[2-(2-ethylhexoxy)ethoxy]ethanamine
SMILESCCCCC(CC)COCCOCCN
InChIInChI=1S/C12H27NO2/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12H,3-11,13H2,1-2H3
InChIKeyZJHOKZSGAGNVIX-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.19
Rot. Bonds11

About 2-[2-(2-ethylhexoxy)ethoxy]ethanamine

2-[2-(2-ethylhexoxy)ethoxy]ethanamine (PubChem CID 103482464) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-[2-(2-ethylhexoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-ethylhexoxy)ethoxy]ethanamine
PubChem CID103482464
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-[2-(2-ethylhexoxy)ethoxy]ethanamine
SMILESCCCCC(CC)COCCOCCN
InChIInChI=1S/C12H27NO2/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12H,3-11,13H2,1-2H3
InChIKeyZJHOKZSGAGNVIX-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.19
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

CID 21499
CID 21499
CID 18672784
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CID 53749876
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CID 222494
CID 222494
CID 18672806
CID 18672806
CID 20330032
CID 20330032
CID 21183648
CID 21183648
CID 43127668
CID 43127668
CID 58572299
CID 58572299
CID 61683858
CID 61683858
CID 69612034
CID 69612034
CID 82352795
CID 82352795

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylhexoxy)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-ethylhexoxy)ethoxy]ethanamine (CID 103482464) is 2-[2-(2-ethylhexoxy)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-ethylhexoxy)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-ethylhexoxy)ethoxy]ethanamine is CCCCC(CC)COCCOCCN.
What is the InChIKey of 2-[2-(2-ethylhexoxy)ethoxy]ethanamine?
The InChIKey is ZJHOKZSGAGNVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 2-[2-(2-ethylhexoxy)ethoxy]ethanamine?
2-[2-(2-ethylhexoxy)ethoxy]ethanamine has a molecular weight of 217.35 g/mol, XLogP of 2.19, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylhexoxy)ethoxy]ethanamine is sourced from PubChem (CID 103482464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).