1-ethyl-3-octadec-1-enylimidazolidine

C23H46N2 — CID 151619685

IUPAC1-ethyl-3-octadec-1-enylimidazolidine
SMILESCCCCCCCCCCCCCCCCC=CN1CCN(CC)C1
InChIInChI=1S/C23H46N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-21-24(4-2)23-25/h19-20H,3-18,21-23H2,1-2H3
InChIKeyQOFWLICEAAQXRD-UHFFFAOYSA-N
MW350.64 g/mol
LogP6.97
Rot. Bonds17

About 1-ethyl-3-octadec-1-enylimidazolidine

1-ethyl-3-octadec-1-enylimidazolidine (PubChem CID 151619685) has the molecular formula C23H46N2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 1-ethyl-3-octadec-1-enylimidazolidine.

Molecular Properties

Compound Name1-ethyl-3-octadec-1-enylimidazolidine
PubChem CID151619685
Molecular FormulaC23H46N2
Molecular Weight350.64 g/mol
Exact Mass350.37
IUPAC Name1-ethyl-3-octadec-1-enylimidazolidine
SMILESCCCCCCCCCCCCCCCCC=CN1CCN(CC)C1
InChIInChI=1S/C23H46N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-21-24(4-2)23-25/h19-20H,3-18,21-23H2,1-2H3
InChIKeyQOFWLICEAAQXRD-UHFFFAOYSA-N
XLogP6.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodec-1-enylpiperidine
CID 54388072
4-undec-1-enylmorpholine
CID 163523688
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650
(Z)-heptadec-8-ene
CID 5352243
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-octadec-1-enylimidazolidine?
The IUPAC name of 1-ethyl-3-octadec-1-enylimidazolidine (CID 151619685) is 1-ethyl-3-octadec-1-enylimidazolidine.
What is the SMILES notation for 1-ethyl-3-octadec-1-enylimidazolidine?
The canonical SMILES for 1-ethyl-3-octadec-1-enylimidazolidine is CCCCCCCCCCCCCCCCC=CN1CCN(CC)C1.
What is the InChIKey of 1-ethyl-3-octadec-1-enylimidazolidine?
The InChIKey is QOFWLICEAAQXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-21-24(4-2)23-25/h19-20H,3-18,21-23H2,1-2H3.
What are the key properties of 1-ethyl-3-octadec-1-enylimidazolidine?
1-ethyl-3-octadec-1-enylimidazolidine has a molecular weight of 350.64 g/mol, XLogP of 6.97, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-octadec-1-enylimidazolidine is sourced from PubChem (CID 151619685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).