2-[decan-4-yl(2-hydroxyethyl)amino]ethanol

C14H31NO2 — CID 169095504

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

About 2-[decan-4-yl(2-hydroxyethyl)amino]ethanol

2-[decan-4-yl(2-hydroxyethyl)amino]ethanol (PubChem CID 169095504) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[decan-4-yl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
PubChem CID169095504
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
SMILESCCCCCCC(CCC)N(CCO)CCO
InChIInChI=1S/C14H31NO2/c1-3-5-6-7-9-14(8-4-2)15(10-12-16)11-13-17/h14,16-17H,3-13H2,1-2H3
InChIKeyBIWJSQMNZNNFEK-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyltridecan-4-amine
CID 139649762
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
N,N-dibutyldocosan-4-amine;hydrochloride
CID 88809757
2-[bis(2-hydroxyethyl)amino]hexadecan-1-ol;sulfuric acid
CID 162089252
azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid
CID 174235324
N,N-diethyltridecan-4-amine
CID 159822270
2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981075
N'-(3-aminopropyl)-N'-tetratriacontan-16-ylpropane-1,3-diamine
CID 88511358
sodium 6-(dioctylamino)nonanoate
CID 101313592
N,N-dihydroxynonan-4-amine
CID 139703467
decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol
CID 159290129
2-[2-[2-(methylamino)ethyl-tridecan-6-ylamino]ethoxy]ethanol
CID 134271956

Frequently Asked Questions

What is the IUPAC name of 2-[decan-4-yl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[decan-4-yl(2-hydroxyethyl)amino]ethanol (CID 169095504) is 2-[decan-4-yl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[decan-4-yl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[decan-4-yl(2-hydroxyethyl)amino]ethanol is CCCCCCC(CCC)N(CCO)CCO.
What is the InChIKey of 2-[decan-4-yl(2-hydroxyethyl)amino]ethanol?
The InChIKey is BIWJSQMNZNNFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-3-5-6-7-9-14(8-4-2)15(10-12-16)11-13-17/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 2-[decan-4-yl(2-hydroxyethyl)amino]ethanol?
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol has a molecular weight of 245.41 g/mol, XLogP of 2.41, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[decan-4-yl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 169095504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).