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

C23H45N3 — CID 54415335

IUPAC2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
SMILESCCCCCCCCC=CCCCCCCCCC1=NCC(CCN)N1
InChIInChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-21-22(26-23)19-20-24/h9-10,22H,2-8,11-21,24H2,1H3,(H,25,26)
InChIKeyVWZXJDNCQYHAGY-UHFFFAOYSA-N
MW363.63 g/mol
LogP6.13
Rot. Bonds18

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

2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine (PubChem CID 54415335) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
PubChem CID54415335
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
SMILESCCCCCCCCC=CCCCCCCCCC1=NCC(CCN)N1
InChIInChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-21-22(26-23)19-20-24/h9-10,22H,2-8,11-21,24H2,1H3,(H,25,26)
InChIKeyVWZXJDNCQYHAGY-UHFFFAOYSA-N
XLogP6.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
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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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
Di-oleyl imidazoline
CID 129701665
(Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
CID 6436526
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-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine (CID 54415335) is 2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine is CCCCCCCCC=CCCCCCCCCC1=NCC(CCN)N1.
What is the InChIKey of 2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
The InChIKey is VWZXJDNCQYHAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-21-22(26-23)19-20-24/h9-10,22H,2-8,11-21,24H2,1H3,(H,25,26).
What are the key properties of 2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine?
2-(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, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 54415335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).