2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde

C8H18N2O2 — CID 156646019

IUPAC2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde
SMILESCCNCCNCCOCC=O
InChIInChI=1S/C8H18N2O2/c1-2-9-3-4-10-5-7-12-8-6-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyFEENROKLPPKIOB-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.60
Rot. Bonds9

About 2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde

2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde (PubChem CID 156646019) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde
PubChem CID156646019
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde
SMILESCCNCCNCCOCC=O
InChIInChI=1S/C8H18N2O2/c1-2-9-3-4-10-5-7-12-8-6-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyFEENROKLPPKIOB-UHFFFAOYSA-N
XLogP-0.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde?
The IUPAC name of 2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde (CID 156646019) is 2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde is CCNCCNCCOCC=O.
What is the InChIKey of 2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde?
The InChIKey is FEENROKLPPKIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-2-9-3-4-10-5-7-12-8-6-11/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde?
2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde has a molecular weight of 174.24 g/mol, XLogP of -0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde is sourced from PubChem (CID 156646019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).