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

C10H23NO3 — CID 3020311

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethanamine
SMILESCCCCOCCOCCOCCN
InChIInChI=1S/C10H23NO3/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h2-11H2,1H3
InChIKeyLXLXYIZJFSMUMX-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.80
Rot. Bonds11

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

2-[2-(2-butoxyethoxy)ethoxy]ethanamine (PubChem CID 3020311) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethanamine
PubChem CID3020311
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethanamine
SMILESCCCCOCCOCCOCCN
InChIInChI=1S/C10H23NO3/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h2-11H2,1H3
InChIKeyLXLXYIZJFSMUMX-UHFFFAOYSA-N
XLogP0.80
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.80
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-butoxyethoxy)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethanamine (CID 3020311) is 2-[2-(2-butoxyethoxy)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethanamine is CCCCOCCOCCOCCN.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethanamine?
The InChIKey is LXLXYIZJFSMUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h2-11H2,1H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethanamine?
2-[2-(2-butoxyethoxy)ethoxy]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 0.80, 11 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]ethanamine is sourced from PubChem (CID 3020311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).