2-[2-butoxyethyl(butyl)amino]ethanol

C12H27NO2 — CID 62016788

IUPAC2-[2-butoxyethyl(butyl)amino]ethanol
SMILESCCCCOCCN(CCO)CCCC
InChIInChI=1S/C12H27NO2/c1-3-5-7-13(8-10-14)9-12-15-11-6-4-2/h14H,3-12H2,1-2H3
InChIKeyUDIBSJNCRQZKLX-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.90
Rot. Bonds11

About 2-[2-butoxyethyl(butyl)amino]ethanol

2-[2-butoxyethyl(butyl)amino]ethanol (PubChem CID 62016788) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-[2-butoxyethyl(butyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-butoxyethyl(butyl)amino]ethanol
PubChem CID62016788
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-[2-butoxyethyl(butyl)amino]ethanol
SMILESCCCCOCCN(CCO)CCCC
InChIInChI=1S/C12H27NO2/c1-3-5-7-13(8-10-14)9-12-15-11-6-4-2/h14H,3-12H2,1-2H3
InChIKeyUDIBSJNCRQZKLX-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
CID 57180340
2-[2-[2-[2-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 134252023
2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 3020326
2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54313523
2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
CID 71328174
2-[6-heptoxyhexyl(heptyl)amino]ethanol
CID 167511093
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[3-octadecoxypropyl(propyl)amino]ethanol
CID 157484985
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-butoxyethyl(butyl)amino]ethanol?
The IUPAC name of 2-[2-butoxyethyl(butyl)amino]ethanol (CID 62016788) is 2-[2-butoxyethyl(butyl)amino]ethanol.
What is the SMILES notation for 2-[2-butoxyethyl(butyl)amino]ethanol?
The canonical SMILES for 2-[2-butoxyethyl(butyl)amino]ethanol is CCCCOCCN(CCO)CCCC.
What is the InChIKey of 2-[2-butoxyethyl(butyl)amino]ethanol?
The InChIKey is UDIBSJNCRQZKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-3-5-7-13(8-10-14)9-12-15-11-6-4-2/h14H,3-12H2,1-2H3.
What are the key properties of 2-[2-butoxyethyl(butyl)amino]ethanol?
2-[2-butoxyethyl(butyl)amino]ethanol has a molecular weight of 217.35 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butoxyethyl(butyl)amino]ethanol is sourced from PubChem (CID 62016788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).