2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine

C9H19NO3 — CID 86183811

IUPAC2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine
SMILESC=CCOCCOCCOCCN
InChIInChI=1S/C9H19NO3/c1-2-4-11-6-8-13-9-7-12-5-3-10/h2H,1,3-10H2
InChIKeyOQHOHQNFUWHTQD-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.18
Rot. Bonds10

About 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine

2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine (PubChem CID 86183811) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine
PubChem CID86183811
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine
SMILESC=CCOCCOCCOCCN
InChIInChI=1S/C9H19NO3/c1-2-4-11-6-8-13-9-7-12-5-3-10/h2H,1,3-10H2
InChIKeyOQHOHQNFUWHTQD-UHFFFAOYSA-N
XLogP0.18
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine (CID 86183811) is 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine is C=CCOCCOCCOCCN.
What is the InChIKey of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine?
The InChIKey is OQHOHQNFUWHTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-4-11-6-8-13-9-7-12-5-3-10/h2H,1,3-10H2.
What are the key properties of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine?
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine has a molecular weight of 189.25 g/mol, XLogP of 0.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethanamine is sourced from PubChem (CID 86183811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).