1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine

C23H45N3 — CID 101323561

IUPAC1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCCCCCCCCCCCC/C=C/CCC1=NCCN1C(C)N
InChIInChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-20-21-26(23)22(2)24/h16-17,22H,3-15,18-21,24H2,1-2H3/b17-16+
InChIKeyTYOFXXOZVUVPNB-WUKNDPDISA-N
MW363.63 g/mol
LogP6.43
Rot. Bonds17

About 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine

1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (PubChem CID 101323561) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
PubChem CID101323561
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCCCCCCCCCCCC/C=C/CCC1=NCCN1C(C)N
InChIInChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-20-21-26(23)22(2)24/h16-17,22H,3-15,18-21,24H2,1-2H3/b17-16+
InChIKeyTYOFXXOZVUVPNB-WUKNDPDISA-N
XLogP6.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.43
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'}

Analyze 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323033
1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322968
1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323229
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
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-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328167
1-(2-octadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 163477068
1-[2-[(E)-pentadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323297

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The IUPAC name of 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (CID 101323561) is 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.
What is the SMILES notation for 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The canonical SMILES for 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is CCCCCCCCCCCCCC/C=C/CCC1=NCCN1C(C)N.
What is the InChIKey of 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The InChIKey is TYOFXXOZVUVPNB-WUKNDPDISA-N. The full InChI is InChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-20-21-26(23)22(2)24/h16-17,22H,3-15,18-21,24H2,1-2H3/b17-16+.
What are the key properties of 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine has a molecular weight of 363.63 g/mol, XLogP of 6.43, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is sourced from PubChem (CID 101323561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).