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

C13H27NO5 — CID 126584605

IUPAC2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=CCOCCOCCOCCOCCOCCN
InChIInChI=1S/C13H27NO5/c1-2-4-15-6-8-17-10-12-19-13-11-18-9-7-16-5-3-14/h2H,1,3-14H2
InChIKeyORYLPBJHXAPUJC-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.21
Rot. Bonds16

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

2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 126584605) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID126584605
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=CCOCCOCCOCCOCCOCCN
InChIInChI=1S/C13H27NO5/c1-2-4-15-6-8-17-10-12-19-13-11-18-9-7-16-5-3-14/h2H,1,3-14H2
InChIKeyORYLPBJHXAPUJC-UHFFFAOYSA-N
XLogP0.21
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine (CID 126584605) is 2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine is C=CCOCCOCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is ORYLPBJHXAPUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-2-4-15-6-8-17-10-12-19-13-11-18-9-7-16-5-3-14/h2H,1,3-14H2.
What are the key properties of 2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 277.36 g/mol, XLogP of 0.21, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 126584605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).