2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol

C24H50N2O — CID 57356059

IUPAC2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCCCC1N(CC)CCN1CCO
InChIInChI=1S/C24H50N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27/h24,27H,3-23H2,1-2H3
InChIKeyLGZNXSKZJYIIHX-UHFFFAOYSA-N
MW382.68 g/mol
LogP6.20
Rot. Bonds19

About 2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol

2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol (PubChem CID 57356059) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is 2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
PubChem CID57356059
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC Name2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCCCC1N(CC)CCN1CCO
InChIInChI=1S/C24H50N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27/h24,27H,3-23H2,1-2H3
InChIKeyLGZNXSKZJYIIHX-UHFFFAOYSA-N
XLogP6.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 56.20
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-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 6437254
2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
CID 3023627
2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
CID 172998925
2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
CID 19599074
2-heptadecyl-1-octadecyl-3-propylimidazolidine
CID 20661967
2-[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-yl]ethyl tetradecanoate
CID 122673108
1-butyl-3-hydroxy-2-octadecylimidazolidine
CID 19994284
3-butyl-2-dodecylimidazolidin-1-amine
CID 19994298
2-(4-bromo-2-decyl-3-ethylimidazolidin-1-yl)ethanol
CID 122612287
2-heptadecyl-1-methyl-3-propylimidazolidine
CID 175060590
1,3-dimethyl-2-nonylimidazolidine;hydroiodide
CID 173458444
2-(2-decyl-2,4-dihydroimidazol-3-yl)ethanol
CID 101327445

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol?
The IUPAC name of 2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol (CID 57356059) is 2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol.
What is the SMILES notation for 2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol?
The canonical SMILES for 2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol is CCCCCCCCCCCCCCCCCC1N(CC)CCN1CCO.
What is the InChIKey of 2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol?
The InChIKey is LGZNXSKZJYIIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27/h24,27H,3-23H2,1-2H3.
What are the key properties of 2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol?
2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol has a molecular weight of 382.68 g/mol, XLogP of 6.20, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol is sourced from PubChem (CID 57356059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).