1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine

C17H33N3 — CID 101323033

IUPAC1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCC/C=C/CCCCCCC1=NCCN1C(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/h6-7,16H,3-5,8-15,18H2,1-2H3/b7-6+
InChIKeyBGPSFCBNAVJKNT-VOTSOKGWSA-N
MW279.47 g/mol
LogP4.09
Rot. Bonds11

About 1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine

1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (PubChem CID 101323033) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
PubChem CID101323033
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCC/C=C/CCCCCCC1=NCCN1C(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/h6-7,16H,3-5,8-15,18H2,1-2H3/b7-6+
InChIKeyBGPSFCBNAVJKNT-VOTSOKGWSA-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)-heptadec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323480
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323302
1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323229
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328167
1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322968
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-[2-[(E)-hexadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328122
1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67317165
1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 101323310
1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327942

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The IUPAC name of 1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (CID 101323033) is 1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.
What is the SMILES notation for 1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The canonical SMILES for 1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is CCCC/C=C/CCCCCCC1=NCCN1C(C)N.
What is the InChIKey of 1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The InChIKey is BGPSFCBNAVJKNT-VOTSOKGWSA-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/h6-7,16H,3-5,8-15,18H2,1-2H3/b7-6+.
What are the key properties of 1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-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-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is sourced from PubChem (CID 101323033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).