2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol

C14H31NO2 — CID 143083923

IUPAC2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
SMILESCCCCC(CCCC)CN(CCO)CCO
InChIInChI=1S/C14H31NO2/c1-3-5-7-14(8-6-4-2)13-15(9-11-16)10-12-17/h14,16-17H,3-13H2,1-2H3
InChIKeyAWQGUSXBSUUTNB-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.27
Rot. Bonds12

About 2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol

2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol (PubChem CID 143083923) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
PubChem CID143083923
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
SMILESCCCCC(CCCC)CN(CCO)CCO
InChIInChI=1S/C14H31NO2/c1-3-5-7-14(8-6-4-2)13-15(9-11-16)10-12-17/h14,16-17H,3-13H2,1-2H3
InChIKeyAWQGUSXBSUUTNB-UHFFFAOYSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 175041251
2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
CID 104627908
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
3-[(dibutylamino)methyl]heptane-1-thiol
CID 23362527
2-[octyl(10-pentylpentadecyl)amino]ethanol
CID 170755084
2-[butyl(2-methylpentyl)amino]ethanol
CID 62266090
2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
CID 166893886
2-[benzyl(2-ethylhexyl)amino]ethanol
CID 55192095
2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
CID 55191905
2-[2-(bromomethyl)butyl-propylamino]ethanol
CID 65000871
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552

Frequently Asked Questions

What is the IUPAC name of 2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol (CID 143083923) is 2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol is CCCCC(CCCC)CN(CCO)CCO.
What is the InChIKey of 2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is AWQGUSXBSUUTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-3-5-7-14(8-6-4-2)13-15(9-11-16)10-12-17/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol?
2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 245.41 g/mol, XLogP of 2.27, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 143083923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).