1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine

C16H23N3 — CID 57282349

IUPAC1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine
SMILESCCc1ccc(C(N)CC(CC)n2ccnc2)cc1
InChIInChI=1S/C16H23N3/c1-3-13-5-7-14(8-6-13)16(17)11-15(4-2)19-10-9-18-12-19/h5-10,12,15-16H,3-4,11,17H2,1-2H3
InChIKeyLYMQEPFCNLLDQF-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.49
Rot. Bonds6

About 1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine

1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine (PubChem CID 57282349) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine
PubChem CID57282349
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine
SMILESCCc1ccc(C(N)CC(CC)n2ccnc2)cc1
InChIInChI=1S/C16H23N3/c1-3-13-5-7-14(8-6-13)16(17)11-15(4-2)19-10-9-18-12-19/h5-10,12,15-16H,3-4,11,17H2,1-2H3
InChIKeyLYMQEPFCNLLDQF-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyloctan-3-yl)imidazole
CID 140807284
2-[4-(4-imidazol-1-ylhexan-2-yl)phenoxy]ethanol
CID 58586517
1-hexan-3-ylimidazole
CID 54145075
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
2-[3-(4-imidazol-1-ylhexan-2-yl)imidazol-1-ium-1-yl]ethanamine
CID 176846057
1-heptan-3-ylimidazole;hydrobromide
CID 174803482
5-imidazol-1-ylhexan-3-amine
CID 122542899
1-hex-5-en-3-ylimidazole
CID 121330081
2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine
CID 62350551
chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine);chloride
CID 163514694
chloroosmium;1-[3,5-di(imidazol-1-yl)-1-(2-imidazol-1-ylbutyl)hexyl]imidazole;bis(2-pyridin-2-ylpyridine)
CID 162779747
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine (CID 57282349) is 1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine is CCc1ccc(C(N)CC(CC)n2ccnc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine?
The InChIKey is LYMQEPFCNLLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-13-5-7-14(8-6-13)16(17)11-15(4-2)19-10-9-18-12-19/h5-10,12,15-16H,3-4,11,17H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine?
1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-imidazol-1-ylpentan-1-amine is sourced from PubChem (CID 57282349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).