1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine

C23H45N3 — CID 67644241

IUPAC1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
SMILESCCCCCCCCC=CCCCCCCCCC1=NCC(C(C)N)N1
InChIInChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-20-22(26-23)21(2)24/h10-11,21-22H,3-9,12-20,24H2,1-2H3,(H,25,26)
InChIKeyPIJFFEQMTJDKQS-UHFFFAOYSA-N
MW363.63 g/mol
LogP6.13
Rot. Bonds17

About 1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine

1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine (PubChem CID 67644241) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
PubChem CID67644241
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
SMILESCCCCCCCCC=CCCCCCCCCC1=NCC(C(C)N)N1
InChIInChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-20-22(26-23)21(2)24/h10-11,21-22H,3-9,12-20,24H2,1-2H3,(H,25,26)
InChIKeyPIJFFEQMTJDKQS-UHFFFAOYSA-N
XLogP6.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.13
H-Bond Donors ≤ 52
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 1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine (CID 67644241) is 1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine is CCCCCCCCC=CCCCCCCCCC1=NCC(C(C)N)N1.
What is the InChIKey of 1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The InChIKey is PIJFFEQMTJDKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-25-20-22(26-23)21(2)24/h10-11,21-22H,3-9,12-20,24H2,1-2H3,(H,25,26).
What are the key properties of 1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine has a molecular weight of 363.63 g/mol, XLogP of 6.13, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 67644241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).