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

C23H45N3 — CID 54547397

IUPAC2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCC=CCCCCCCC(C)C1=NCCN1CCN
InChIInChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)23-25-19-21-26(23)20-18-24/h10-11,22H,3-9,12-21,24H2,1-2H3
InChIKeyZHMDWHIDOVFANH-UHFFFAOYSA-N
MW363.63 g/mol
LogP5.94
Rot. Bonds17

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

2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine (PubChem CID 54547397) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine
PubChem CID54547397
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCC=CCCCCCCC(C)C1=NCCN1CCN
InChIInChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)23-25-19-21-26(23)20-18-24/h10-11,22H,3-9,12-21,24H2,1-2H3
InChIKeyZHMDWHIDOVFANH-UHFFFAOYSA-N
XLogP5.94
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 ≤ 55.94
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

1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-
CID 6437219
2-(8-Heptadecen-1-yl)-N-(2-(2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)-4,5-dihydro-1H-imidazole-1-ethanamine
CID 107490
(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine
CID 6436525
2-(2-Heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 88595
1H-Imidazole-1-ethanamine, 2-(heptadecen-1-yl)-4,5-dihydro-
CID 117624
N-(2-Aminoethyl)-N'-(2-(2-(8Z)-8-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)1,2-ethanediamine
CID 22833348
N-(2-Aminoethyl)-N'-(2-(2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)ethylenediamine
CID 6437097
(Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
CID 6436526
1,2-Ethanediamine, N1,N1'-[[5-hexyl-6-(2-octen-1-yl)-3-cyclohexene-1,2-diyl]bis[7,1-heptanediyl(4,5-dihydro-1H-imidazole-2,1-diyl)-2,1-ethanediyl]]bis-
CID 6437741
2-(Octadec-9-EN-1-YL)-4,5-dihydro-1H-imidazole
CID 62631
Heptadecenylimidazoline
CID 6435860
1H-Imidazole, 4,5-dihydro-2-(9Z)-9-octadecenyl-
CID 6435905

Frequently Asked Questions

What is the IUPAC name of 2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine?
The IUPAC name of 2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine (CID 54547397) is 2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine is CCCCCCCCC=CCCCCCCC(C)C1=NCCN1CCN.
What is the InChIKey of 2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine?
The InChIKey is ZHMDWHIDOVFANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)23-25-19-21-26(23)20-18-24/h10-11,22H,3-9,12-21,24H2,1-2H3.
What are the key properties of 2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine?
2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine has a molecular weight of 363.63 g/mol, XLogP of 5.94, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octadec-9-en-2-yl-4,5-dihydroimidazol-1-yl)ethanamine is sourced from PubChem (CID 54547397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).