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

C20H39N3 — CID 101323314

IUPAC1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCCCCC/C=C/CCCC1N=CCN1C(C)N
InChIInChI=1S/C20H39N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-22-17-18-23(20)19(2)21/h12-13,17,19-20H,3-11,14-16,18,21H2,1-2H3/b13-12+
InChIKeyCRHAUUUQYVFSAI-OUKQBFOZSA-N
MW321.55 g/mol
LogP5.26
Rot. Bonds14

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

1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (PubChem CID 101323314) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
PubChem CID101323314
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCCCCC/C=C/CCCC1N=CCN1C(C)N
InChIInChI=1S/C20H39N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-22-17-18-23(20)19(2)21/h12-13,17,19-20H,3-11,14-16,18,21H2,1-2H3/b13-12+
InChIKeyCRHAUUUQYVFSAI-OUKQBFOZSA-N
XLogP5.26
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.26
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)-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)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323045
1-[2-[(E)-hexadec-12-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323407
1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322833
1-[2-[(E)-undec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322978
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
1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine
CID 101323410
2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323074
2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323631

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (CID 101323314) is 1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is CCCCCCCCCC/C=C/CCCC1N=CCN1C(C)N.
What is the InChIKey of 1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The InChIKey is CRHAUUUQYVFSAI-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H39N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-22-17-18-23(20)19(2)21/h12-13,17,19-20H,3-11,14-16,18,21H2,1-2H3/b13-12+.
What are the key properties of 1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine has a molecular weight of 321.55 g/mol, XLogP of 5.26, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101323314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).