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

C17H33N3 — CID 101323074

IUPAC2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCC/C=C/CCCC1N=CCN1CCN
InChIInChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-17-19-14-16-20(17)15-13-18/h8-9,14,17H,2-7,10-13,15-16,18H2,1H3/b9-8+
InChIKeyJGQJDKHOVNOOTC-CMDGGOBGSA-N
MW279.47 g/mol
LogP3.74
Rot. Bonds12

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

2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (PubChem CID 101323074) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
PubChem CID101323074
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCC/C=C/CCCC1N=CCN1CCN
InChIInChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-17-19-14-16-20(17)15-13-18/h8-9,14,17H,2-7,10-13,15-16,18H2,1H3/b9-8+
InChIKeyJGQJDKHOVNOOTC-CMDGGOBGSA-N
XLogP3.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.74
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-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323631
2-[2-[(E)-undec-5-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323011
2-[2-[(E)-pentadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323362
2-[2-[(E)-heptadec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323530
2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323196
2-[2-[(E)-dodec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323072
2-[2-[(E)-oct-3-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322853
2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327685
2-[2-[(E)-undec-1-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323007
2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine
CID 101323366
2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327543
1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323314

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (CID 101323074) is 2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is CCCCCCC/C=C/CCCC1N=CCN1CCN.
What is the InChIKey of 2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The InChIKey is JGQJDKHOVNOOTC-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-17-19-14-16-20(17)15-13-18/h8-9,14,17H,2-7,10-13,15-16,18H2,1H3/b9-8+.
What are the key properties of 2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine has a molecular weight of 279.47 g/mol, XLogP of 3.74, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101323074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).