2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol

C24H48N2O — CID 6437254

IUPAC2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
SMILESCCCCCCCC/C=C/CCCCCCCC1N(CC)CCN1CCO
InChIInChI=1S/C24H48N2O/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/h11-12,24,27H,3-10,13-23H2,1-2H3/b12-11+
InChIKeyCUWNKGLSFDDZTO-VAWYXSNFSA-N
MW380.66 g/mol
LogP5.98
Rot. Bonds18

About 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol

2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol (PubChem CID 6437254) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
PubChem CID6437254
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC Name2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
SMILESCCCCCCCC/C=C/CCCCCCCC1N(CC)CCN1CCO
InChIInChI=1S/C24H48N2O/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/h11-12,24,27H,3-10,13-23H2,1-2H3/b12-11+
InChIKeyCUWNKGLSFDDZTO-VAWYXSNFSA-N
XLogP5.98
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
CID 57356059
2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
CID 19599074
2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 142741314
2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327685
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
disodium;hydride;octadec-9-en-1-ol
CID 173039862

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol?
The IUPAC name of 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol (CID 6437254) is 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol is CCCCCCCC/C=C/CCCCCCCC1N(CC)CCN1CCO.
What is the InChIKey of 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol?
The InChIKey is CUWNKGLSFDDZTO-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H48N2O/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/h11-12,24,27H,3-10,13-23H2,1-2H3/b12-11+.
What are the key properties of 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol?
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol has a molecular weight of 380.66 g/mol, XLogP of 5.98, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol is sourced from PubChem (CID 6437254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).