2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine

C14H25NO2 — CID 169157361

IUPAC2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine
SMILESCCOCCNCCOC1=CCC(CC)C=C1
InChIInChI=1S/C14H25NO2/c1-3-13-5-7-14(8-6-13)17-12-10-15-9-11-16-4-2/h5,7-8,13,15H,3-4,6,9-12H2,1-2H3
InChIKeyFZCDDDATIHPYJT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds9

About 2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine

2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine (PubChem CID 169157361) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine
PubChem CID169157361
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine
SMILESCCOCCNCCOC1=CCC(CC)C=C1
InChIInChI=1S/C14H25NO2/c1-3-13-5-7-14(8-6-13)17-12-10-15-9-11-16-4-2/h5,7-8,13,15H,3-4,6,9-12H2,1-2H3
InChIKeyFZCDDDATIHPYJT-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine (CID 169157361) is 2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine is CCOCCNCCOC1=CCC(CC)C=C1.
What is the InChIKey of 2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine?
The InChIKey is FZCDDDATIHPYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-13-5-7-14(8-6-13)17-12-10-15-9-11-16-4-2/h5,7-8,13,15H,3-4,6,9-12H2,1-2H3.
What are the key properties of 2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine?
2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-ethylcyclohexa-1,5-dien-1-yl)oxyethyl]ethanamine is sourced from PubChem (CID 169157361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).