2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol

C42H87NO3 — CID 54313523

IUPAC2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN(CCO)CCOCCO
InChIInChI=1S/C42H87NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-43(37-39-44)38-41-46-42-40-45/h44-45H,2-42H2,1H3
InChIKeySMODSDRFQOJJMZ-UHFFFAOYSA-N
MW654.16 g/mol
LogP12.57
Rot. Bonds42

About 2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol

2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol (PubChem CID 54313523) has the molecular formula C42H87NO3 and a molecular weight of 654.16 g/mol. Its IUPAC name is 2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
PubChem CID54313523
Molecular FormulaC42H87NO3
Molecular Weight654.16 g/mol
Exact Mass653.67
IUPAC Name2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN(CCO)CCOCCO
InChIInChI=1S/C42H87NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-43(37-39-44)38-41-46-42-40-45/h44-45H,2-42H2,1H3
InChIKeySMODSDRFQOJJMZ-UHFFFAOYSA-N
XLogP12.57
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.16
LogP ≤ 512.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[dodecyl-[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]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102050774
2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 3020326
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-[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-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
CID 57180340
2-[6-heptoxyhexyl(heptyl)amino]ethanol
CID 167511093
2-[2-[2-[2-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 134252023
2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
CID 71328174
2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549

Frequently Asked Questions

What is the IUPAC name of 2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol (CID 54313523) is 2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN(CCO)CCOCCO.
What is the InChIKey of 2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The InChIKey is SMODSDRFQOJJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H87NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-43(37-39-44)38-41-46-42-40-45/h44-45H,2-42H2,1H3.
What are the key properties of 2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol has a molecular weight of 654.16 g/mol, XLogP of 12.57, 42 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol is sourced from PubChem (CID 54313523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).