2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine

C17H33N3 — CID 101323091

IUPAC2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
SMILESC/C=C/CCCCCCCCCC1NC=CN1CCN
InChIInChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-17-19-14-16-20(17)15-13-18/h2-3,14,16-17,19H,4-13,15,18H2,1H3/b3-2+
InChIKeyUKHUNBZURUJCQR-NSCUHMNNSA-N
MW279.47 g/mol
LogP3.73
Rot. Bonds12

About 2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine

2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine (PubChem CID 101323091) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
PubChem CID101323091
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
SMILESC/C=C/CCCCCCCCCC1NC=CN1CCN
InChIInChI=1S/C17H33N3/c1-2-3-4-5-6-7-8-9-10-11-12-17-19-14-16-20(17)15-13-18/h2-3,14,16-17,19H,4-13,15,18H2,1H3/b3-2+
InChIKeyUKHUNBZURUJCQR-NSCUHMNNSA-N
XLogP3.73
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
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-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323652
2-[2-[(E)-heptadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323554
2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323372
2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322960
2-[2-[(E)-tridec-7-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327618
2-[2-[(E)-dodec-5-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327581
2-[2-[(E)-tridec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327619
2-[2-[(E)-tridec-5-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327616
2-[2-[(E)-tridec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327617
1-[2-[(E)-tetradec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328071
2-[2-[(E)-dec-4-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327521
2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol
CID 101327840

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine (CID 101323091) is 2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine is C/C=C/CCCCCCCCCC1NC=CN1CCN.
What is the InChIKey of 2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
The InChIKey is UKHUNBZURUJCQR-NSCUHMNNSA-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/h2-3,14,16-17,19H,4-13,15,18H2,1H3/b3-2+.
What are the key properties of 2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine?
2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine has a molecular weight of 279.47 g/mol, XLogP of 3.73, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-dodec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101323091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).