2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol

C14H29NO2 — CID 4712393

IUPAC2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol
SMILESC=CCC(CCCCCC)NCCOCCO
InChIInChI=1S/C14H29NO2/c1-3-5-6-7-9-14(8-4-2)15-10-12-17-13-11-16/h4,14-16H,2-3,5-13H2,1H3
InChIKeyAIZKPSWNGCQHLD-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.50
Rot. Bonds13

About 2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol

2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol (PubChem CID 4712393) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol
PubChem CID4712393
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol
SMILESC=CCC(CCCCCC)NCCOCCO
InChIInChI=1S/C14H29NO2/c1-3-5-6-7-9-14(8-4-2)15-10-12-17-13-11-16/h4,14-16H,2-3,5-13H2,1H3
InChIKeyAIZKPSWNGCQHLD-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dec-1-en-4-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol (CID 4712393) is 2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol is C=CCC(CCCCCC)NCCOCCO.
What is the InChIKey of 2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol?
The InChIKey is AIZKPSWNGCQHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-6-7-9-14(8-4-2)15-10-12-17-13-11-16/h4,14-16H,2-3,5-13H2,1H3.
What are the key properties of 2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol?
2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol has a molecular weight of 243.39 g/mol, XLogP of 2.50, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dec-1-en-4-ylamino)ethoxy]ethanol is sourced from PubChem (CID 4712393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).