6-(2-hydroxyethylamino)oxynonadecan-2-ol

C21H45NO3 — CID 54451090

IUPAC6-(2-hydroxyethylamino)oxynonadecan-2-ol
SMILESCCCCCCCCCCCCCC(CCCC(C)O)ONCCO
InChIInChI=1S/C21H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-21(25-22-18-19-23)17-14-15-20(2)24/h20-24H,3-19H2,1-2H3
InChIKeyWVAHWROJPLPXJW-UHFFFAOYSA-N
MW359.60 g/mol
LogP5.12
Rot. Bonds20

About 6-(2-hydroxyethylamino)oxynonadecan-2-ol

6-(2-hydroxyethylamino)oxynonadecan-2-ol (PubChem CID 54451090) has the molecular formula C21H45NO3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)oxynonadecan-2-ol.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)oxynonadecan-2-ol
PubChem CID54451090
Molecular FormulaC21H45NO3
Molecular Weight359.60 g/mol
Exact Mass359.34
IUPAC Name6-(2-hydroxyethylamino)oxynonadecan-2-ol
SMILESCCCCCCCCCCCCCC(CCCC(C)O)ONCCO
InChIInChI=1S/C21H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-21(25-22-18-19-23)17-14-15-20(2)24/h20-24H,3-19H2,1-2H3
InChIKeyWVAHWROJPLPXJW-UHFFFAOYSA-N
XLogP5.12
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
(2R)-heptan-2-ol
CID 6992611
sodium;hydride;nonan-2-ol
CID 174316439
sodium;dodecan-2-ol;hydride
CID 174187549
heptan-2-ol;hydroxylamine
CID 88625997
(2S)-heptan-2-ol;hydrochloride
CID 141119609

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)oxynonadecan-2-ol?
The IUPAC name of 6-(2-hydroxyethylamino)oxynonadecan-2-ol (CID 54451090) is 6-(2-hydroxyethylamino)oxynonadecan-2-ol.
What is the SMILES notation for 6-(2-hydroxyethylamino)oxynonadecan-2-ol?
The canonical SMILES for 6-(2-hydroxyethylamino)oxynonadecan-2-ol is CCCCCCCCCCCCCC(CCCC(C)O)ONCCO.
What is the InChIKey of 6-(2-hydroxyethylamino)oxynonadecan-2-ol?
The InChIKey is WVAHWROJPLPXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-21(25-22-18-19-23)17-14-15-20(2)24/h20-24H,3-19H2,1-2H3.
What are the key properties of 6-(2-hydroxyethylamino)oxynonadecan-2-ol?
6-(2-hydroxyethylamino)oxynonadecan-2-ol has a molecular weight of 359.60 g/mol, XLogP of 5.12, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)oxynonadecan-2-ol is sourced from PubChem (CID 54451090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).