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

C12H27NO3 — CID 18672784

IUPAC2-[2-(2-hexoxyethoxy)ethoxy]ethanamine
SMILESCCCCCCOCCOCCOCCN
InChIInChI=1S/C12H27NO3/c1-2-3-4-5-7-14-9-11-16-12-10-15-8-6-13/h2-13H2,1H3
InChIKeyKCHGOOBKVWSWIC-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.58
Rot. Bonds13

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

2-[2-(2-hexoxyethoxy)ethoxy]ethanamine (PubChem CID 18672784) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[2-(2-hexoxyethoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-hexoxyethoxy)ethoxy]ethanamine
PubChem CID18672784
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name2-[2-(2-hexoxyethoxy)ethoxy]ethanamine
SMILESCCCCCCOCCOCCOCCN
InChIInChI=1S/C12H27NO3/c1-2-3-4-5-7-14-9-11-16-12-10-15-8-6-13/h2-13H2,1H3
InChIKeyKCHGOOBKVWSWIC-UHFFFAOYSA-N
XLogP1.58
TPSA53.71 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 ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hexoxyethoxy)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-hexoxyethoxy)ethoxy]ethanamine (CID 18672784) is 2-[2-(2-hexoxyethoxy)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-hexoxyethoxy)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-hexoxyethoxy)ethoxy]ethanamine is CCCCCCOCCOCCOCCN.
What is the InChIKey of 2-[2-(2-hexoxyethoxy)ethoxy]ethanamine?
The InChIKey is KCHGOOBKVWSWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-2-3-4-5-7-14-9-11-16-12-10-15-8-6-13/h2-13H2,1H3.
What are the key properties of 2-[2-(2-hexoxyethoxy)ethoxy]ethanamine?
2-[2-(2-hexoxyethoxy)ethoxy]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 1.58, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hexoxyethoxy)ethoxy]ethanamine is sourced from PubChem (CID 18672784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).