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

C23H45N3 — CID 101323609

IUPAC2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCCCCCCCCCCCCCC/C=C/C1=NCCN1CCN
InChIInChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-20-22-26(23)21-19-24/h17-18H,2-16,19-22,24H2,1H3/b18-17+
InChIKeyZSCLPCQXJNSMGU-ISLYRVAYSA-N
MW363.63 g/mol
LogP6.09
Rot. Bonds18

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

2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (PubChem CID 101323609) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
PubChem CID101323609
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
SMILESCCCCCCCCCCCCCCCC/C=C/C1=NCCN1CCN
InChIInChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-20-22-26(23)21-19-24/h17-18H,2-16,19-22,24H2,1H3/b18-17+
InChIKeyZSCLPCQXJNSMGU-ISLYRVAYSA-N
XLogP6.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-undec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 170849372
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327588
2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 141100593
2-[2-[(E)-heptadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323520
2-[2-[(E)-heptadec-4-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323519
2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine
CID 70356850
2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322944
2-[2-[(Z)-octadec-9-en-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 70199879
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
2-[(E)-heptadec-1-enyl]-1-propan-2-yl-4,5-dihydroimidazole
CID 23051834

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine (CID 101323609) is 2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is CCCCCCCCCCCCCCCC/C=C/C1=NCCN1CCN.
What is the InChIKey of 2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
The InChIKey is ZSCLPCQXJNSMGU-ISLYRVAYSA-N. The full InChI is InChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-20-22-26(23)21-19-24/h17-18H,2-16,19-22,24H2,1H3/b18-17+.
What are the key properties of 2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine?
2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine has a molecular weight of 363.63 g/mol, XLogP of 6.09, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine is sourced from PubChem (CID 101323609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).