2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine

C23H45N3 — CID 101323631

IUPAC2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCCCCC/C=C/CCCCCCC1N=CCN1CCN
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/h11-12,20,23H,2-10,13-19,21-22,24H2,1H3/b12-11+
InChIKeyPTLXTVSRKCJAIV-VAWYXSNFSA-N
MW363.63 g/mol
LogP6.09
Rot. Bonds18

About 2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine

2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (PubChem CID 101323631) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
PubChem CID101323631
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
SMILESCCCCCCCCCC/C=C/CCCCCCC1N=CCN1CCN
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/h11-12,20,23H,2-10,13-19,21-22,24H2,1H3/b12-11+
InChIKeyPTLXTVSRKCJAIV-VAWYXSNFSA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(E)-undec-5-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323011
2-[2-[(E)-pentadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323362
2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323074
2-[2-[(E)-heptadec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323530
2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323196
2-[2-[(E)-dodec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323072
2-[2-[(E)-oct-3-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322853
2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327685
2-(2-pentadec-14-enyl-2,4-dihydroimidazol-3-yl)ethanamine
CID 101323366
2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327543
2-[2-[(E)-undec-1-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323007
2-(2-decyl-2,4-dihydroimidazol-3-yl)ethanol
CID 101327445

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The IUPAC name of 2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine (CID 101323631) is 2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is CCCCCCCCCC/C=C/CCCCCCC1N=CCN1CCN.
What is the InChIKey of 2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
The InChIKey is PTLXTVSRKCJAIV-VAWYXSNFSA-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/h11-12,20,23H,2-10,13-19,21-22,24H2,1H3/b12-11+.
What are the key properties of 2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine?
2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-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-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine is sourced from PubChem (CID 101323631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).