1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine

C17H33N3 — CID 101323045

IUPAC1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCC/C=C/CCCCCCCC1N=CCN1C(C)N
InChIInChI=1S/C17H33N3/c1-3-4-5-6-7-8-9-10-11-12-13-17-19-14-15-20(17)16(2)18/h5-6,14,16-17H,3-4,7-13,15,18H2,1-2H3/b6-5+
InChIKeyURSWIOJVHICQCI-AATRIKPKSA-N
MW279.47 g/mol
LogP4.09
Rot. Bonds11

About 1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine

1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (PubChem CID 101323045) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
PubChem CID101323045
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCC/C=C/CCCCCCCC1N=CCN1C(C)N
InChIInChI=1S/C17H33N3/c1-3-4-5-6-7-8-9-10-11-12-13-17-19-14-15-20(17)16(2)18/h5-6,14,16-17H,3-4,7-13,15,18H2,1-2H3/b6-5+
InChIKeyURSWIOJVHICQCI-AATRIKPKSA-N
XLogP4.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.09
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

1-[2-[(E)-hexadec-12-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323407
1-[2-[(E)-octadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323584
1-[2-[(E)-octadec-6-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323580
1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322833
1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323314
1-[2-[(E)-undec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322978
1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine
CID 101323410
1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101328137
1-[2-[(E)-pentadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101328096
1-[2-[(E)-heptadec-12-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101328183
2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327543
2-[2-[(E)-pentadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323362

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (CID 101323045) is 1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is CCC/C=C/CCCCCCCC1N=CCN1C(C)N.
What is the InChIKey of 1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The InChIKey is URSWIOJVHICQCI-AATRIKPKSA-N. The full InChI is InChI=1S/C17H33N3/c1-3-4-5-6-7-8-9-10-11-12-13-17-19-14-15-20(17)16(2)18/h5-6,14,16-17H,3-4,7-13,15,18H2,1-2H3/b6-5+.
What are the key properties of 1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine has a molecular weight of 279.47 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101323045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).