2-(octadecan-3-ylamino)oxyethanol

C20H43NO2 — CID 18787707

IUPAC2-(octadecan-3-ylamino)oxyethanol
SMILESCCCCCCCCCCCCCCCC(CC)NOCCO
InChIInChI=1S/C20H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(4-2)21-23-19-18-22/h20-22H,3-19H2,1-2H3
InChIKeyUZGOZIFEDFWPDD-UHFFFAOYSA-N
MW329.57 g/mol
LogP5.76
Rot. Bonds19

About 2-(octadecan-3-ylamino)oxyethanol

2-(octadecan-3-ylamino)oxyethanol (PubChem CID 18787707) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-(octadecan-3-ylamino)oxyethanol.

Molecular Properties

Compound Name2-(octadecan-3-ylamino)oxyethanol
PubChem CID18787707
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name2-(octadecan-3-ylamino)oxyethanol
SMILESCCCCCCCCCCCCCCCC(CC)NOCCO
InChIInChI=1S/C20H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(4-2)21-23-19-18-22/h20-22H,3-19H2,1-2H3
InChIKeyUZGOZIFEDFWPDD-UHFFFAOYSA-N
XLogP5.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-ethoxyundecan-6-amine
CID 82709427
3-(1-hydroxyoctadecan-3-ylamino)octadecan-1-ol
CID 23169302
N-(2-methylpropoxy)heptan-3-amine
CID 82712360
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
3-(methylamino)nonan-1-ol
CID 65235222
2-docosan-10-yloxyethanol
CID 173141834
pentadecan-3-ylhydrazine
CID 105200968
N-ethylnonan-3-amine
CID 60996683
tridecan-3-ylhydrazine
CID 105201157
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686

Frequently Asked Questions

What is the IUPAC name of 2-(octadecan-3-ylamino)oxyethanol?
The IUPAC name of 2-(octadecan-3-ylamino)oxyethanol (CID 18787707) is 2-(octadecan-3-ylamino)oxyethanol.
What is the SMILES notation for 2-(octadecan-3-ylamino)oxyethanol?
The canonical SMILES for 2-(octadecan-3-ylamino)oxyethanol is CCCCCCCCCCCCCCCC(CC)NOCCO.
What is the InChIKey of 2-(octadecan-3-ylamino)oxyethanol?
The InChIKey is UZGOZIFEDFWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(4-2)21-23-19-18-22/h20-22H,3-19H2,1-2H3.
What are the key properties of 2-(octadecan-3-ylamino)oxyethanol?
2-(octadecan-3-ylamino)oxyethanol has a molecular weight of 329.57 g/mol, XLogP of 5.76, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octadecan-3-ylamino)oxyethanol is sourced from PubChem (CID 18787707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).