2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine

C23H45N3 — CID 68647342

IUPAC2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine
SMILESCCCCCCCCC=CCCCCCCCCN1CCN=C1CCN
InChIInChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-20-25-23(26)18-19-24/h9-10H,2-8,11-22,24H2,1H3
InChIKeyJCYJHCYLBRYFEW-UHFFFAOYSA-N
MW363.63 g/mol
LogP6.09
Rot. Bonds18

About 2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine

2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine (PubChem CID 68647342) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine
PubChem CID68647342
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine
SMILESCCCCCCCCC=CCCCCCCCCN1CCN=C1CCN
InChIInChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-20-25-23(26)18-19-24/h9-10H,2-8,11-22,24H2,1H3
InChIKeyJCYJHCYLBRYFEW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine?
The IUPAC name of 2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine (CID 68647342) is 2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine is CCCCCCCCC=CCCCCCCCCN1CCN=C1CCN.
What is the InChIKey of 2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine?
The InChIKey is JCYJHCYLBRYFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-20-25-23(26)18-19-24/h9-10H,2-8,11-22,24H2,1H3.
What are the key properties of 2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine?
2-(1-octadec-9-enyl-4,5-dihydroimidazol-2-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-(1-octadec-9-enyl-4,5-dihydroimidazol-2-yl)ethanamine is sourced from PubChem (CID 68647342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).