1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine

C25H49N3 — CID 67645272

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine
SMILESCCCCCCCCC=CCCCCCCCCC(CC)C(N)C1=NCCN1
InChIInChI=1S/C25H49N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4-2)24(26)25-27-21-22-28-25/h11-12,23-24H,3-10,13-22,26H2,1-2H3,(H,27,28)
InChIKeyPEAMKNBAAMFKEI-UHFFFAOYSA-N
MW391.69 g/mol
LogP6.77
Rot. Bonds19

About 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine

1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine (PubChem CID 67645272) has the molecular formula C25H49N3 and a molecular weight of 391.69 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine
PubChem CID67645272
Molecular FormulaC25H49N3
Molecular Weight391.69 g/mol
Exact Mass391.39
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine
SMILESCCCCCCCCC=CCCCCCCCCC(CC)C(N)C1=NCCN1
InChIInChI=1S/C25H49N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4-2)24(26)25-27-21-22-28-25/h11-12,23-24H,3-10,13-22,26H2,1-2H3,(H,27,28)
InChIKeyPEAMKNBAAMFKEI-UHFFFAOYSA-N
XLogP6.77
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.69
LogP ≤ 56.77
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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Related Compounds

1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-
CID 6437219
(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
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
Oleyl imidazoline
CID 6436530
(Z,Z)-2-(8,11-Heptadecadienyl)-4,5-dihydro-1H-imidazole-1-ethylamine
CID 44149385

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine (CID 67645272) is 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine is CCCCCCCCC=CCCCCCCCCC(CC)C(N)C1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine?
The InChIKey is PEAMKNBAAMFKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4-2)24(26)25-27-21-22-28-25/h11-12,23-24H,3-10,13-22,26H2,1-2H3,(H,27,28).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine?
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine has a molecular weight of 391.69 g/mol, XLogP of 6.77, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicos-11-en-1-amine is sourced from PubChem (CID 67645272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).