2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol

C18H39NO3 — CID 71328174

IUPAC2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
SMILESCCCCCCCCCCCOCCCN(CCO)CCO
InChIInChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-17-22-18-11-12-19(13-15-20)14-16-21/h20-21H,2-18H2,1H3
InChIKeyCSXMKXGSWKXVEA-UHFFFAOYSA-N
MW317.51 g/mol
LogP3.21
Rot. Bonds18

About 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol

2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol (PubChem CID 71328174) has the molecular formula C18H39NO3 and a molecular weight of 317.51 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
PubChem CID71328174
Molecular FormulaC18H39NO3
Molecular Weight317.51 g/mol
Exact Mass317.29
IUPAC Name2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
SMILESCCCCCCCCCCCOCCCN(CCO)CCO
InChIInChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-17-22-18-11-12-19(13-15-20)14-16-21/h20-21H,2-18H2,1H3
InChIKeyCSXMKXGSWKXVEA-UHFFFAOYSA-N
XLogP3.21
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-octadecoxypropyl(propyl)amino]ethanol
CID 157484985
2-[6-heptoxyhexyl(heptyl)amino]ethanol
CID 167511093
2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 3020326
2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
CID 57180340
3-[3-hydroxypropyl(3-octadecoxypropyl)amino]propan-1-ol
CID 14389695
1-[2-hydroxyethyl(6-nonoxyhexyl)amino]hexadecan-8-one
CID 170754920
2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54313523
2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[hexadecyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297390
2-[2-[2-[2-[3-[hexadecyl-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297413
2-[2-[2-[2-[2-[3-[dodecyl-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297407
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol (CID 71328174) is 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol is CCCCCCCCCCCOCCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol?
The InChIKey is CSXMKXGSWKXVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-17-22-18-11-12-19(13-15-20)14-16-21/h20-21H,2-18H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol?
2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol has a molecular weight of 317.51 g/mol, XLogP of 3.21, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol is sourced from PubChem (CID 71328174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).