1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine

C21H41N3 — CID 101323410

IUPAC1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine
SMILESC=CCCCCCCCCCCCCCCC1N=CCN1C(C)N
InChIInChI=1S/C21H41N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-18-19-24(21)20(2)22/h3,18,20-21H,1,4-17,19,22H2,2H3
InChIKeyZIRAGNCMJDOVMU-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.65
Rot. Bonds16

About 1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine

1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine (PubChem CID 101323410) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine
PubChem CID101323410
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine
SMILESC=CCCCCCCCCCCCCCCC1N=CCN1C(C)N
InChIInChI=1S/C21H41N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-18-19-24(21)20(2)22/h3,18,20-21H,1,4-17,19,22H2,2H3
InChIKeyZIRAGNCMJDOVMU-UHFFFAOYSA-N
XLogP5.65
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.65
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)-octadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323584
1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323314
1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322833
2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine
CID 101323366
1-[2-[(E)-undec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322978
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-(3-ethyl-2-nonadec-18-enyl-2,4-dihydroimidazol-3-ium-3-yl)ethanol
CID 101330561
2-[2-[(E)-pentadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323362
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-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine?
The IUPAC name of 1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine (CID 101323410) is 1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine is C=CCCCCCCCCCCCCCCC1N=CCN1C(C)N.
What is the InChIKey of 1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine?
The InChIKey is ZIRAGNCMJDOVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-18-19-24(21)20(2)22/h3,18,20-21H,1,4-17,19,22H2,2H3.
What are the key properties of 1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine?
1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine has a molecular weight of 335.58 g/mol, XLogP of 5.65, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexadec-15-enyl-2,4-dihydroimidazol-3-yl)ethanamine is sourced from PubChem (CID 101323410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).