3-[hexyl(2-hydroxyethyl)amino]propan-1-ol

C11H25NO2 — CID 138077793

IUPAC3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
SMILESCCCCCCN(CCO)CCCO
InChIInChI=1S/C11H25NO2/c1-2-3-4-5-7-12(9-11-14)8-6-10-13/h13-14H,2-11H2,1H3
InChIKeySKUPPKNXEFYWRC-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.24
Rot. Bonds10

About 3-[hexyl(2-hydroxyethyl)amino]propan-1-ol

3-[hexyl(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 138077793) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-[hexyl(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
PubChem CID138077793
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
SMILESCCCCCCN(CCO)CCCO
InChIInChI=1S/C11H25NO2/c1-2-3-4-5-7-12(9-11-14)8-6-10-13/h13-14H,2-11H2,1H3
InChIKeySKUPPKNXEFYWRC-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.24
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

4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
3-[decyl(propyl)amino]propan-1-ol
CID 13122229
2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
CID 166791794
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974

Frequently Asked Questions

What is the IUPAC name of 3-[hexyl(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[hexyl(2-hydroxyethyl)amino]propan-1-ol (CID 138077793) is 3-[hexyl(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[hexyl(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[hexyl(2-hydroxyethyl)amino]propan-1-ol is CCCCCCN(CCO)CCCO.
What is the InChIKey of 3-[hexyl(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is SKUPPKNXEFYWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-2-3-4-5-7-12(9-11-14)8-6-10-13/h13-14H,2-11H2,1H3.
What are the key properties of 3-[hexyl(2-hydroxyethyl)amino]propan-1-ol?
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hexyl(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 138077793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).