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

C13H25N3 — CID 101322833

IUPAC1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCC/C=C/CCCC1N=CCN1C(C)N
InChIInChI=1S/C13H25N3/c1-3-4-5-6-7-8-9-13-15-10-11-16(13)12(2)14/h5-6,10,12-13H,3-4,7-9,11,14H2,1-2H3/b6-5+
InChIKeyAHFDMJOECGXQBH-AATRIKPKSA-N
MW223.36 g/mol
LogP2.53
Rot. Bonds7

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

1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (PubChem CID 101322833) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
PubChem CID101322833
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCC/C=C/CCCC1N=CCN1C(C)N
InChIInChI=1S/C13H25N3/c1-3-4-5-6-7-8-9-13-15-10-11-16(13)12(2)14/h5-6,10,12-13H,3-4,7-9,11,14H2,1-2H3/b6-5+
InChIKeyAHFDMJOECGXQBH-AATRIKPKSA-N
XLogP2.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.53
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)-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)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323314
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)-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)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323074
2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327543

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (CID 101322833) is 1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is CCC/C=C/CCCC1N=CCN1C(C)N.
What is the InChIKey of 1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The InChIKey is AHFDMJOECGXQBH-AATRIKPKSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-4-5-6-7-8-9-13-15-10-11-16(13)12(2)14/h5-6,10,12-13H,3-4,7-9,11,14H2,1-2H3/b6-5+.
What are the key properties of 1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101322833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).