1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide

C14H28IN5 — CID 111160602

IUPAC1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
SMILESCCCCCC/N=C(\NCC)NCCn1ccnc1.I
InChIInChI=1S/C14H27N5.HI/c1-3-5-6-7-8-17-14(16-4-2)18-10-12-19-11-9-15-13-19;/h9,11,13H,3-8,10,12H2,1-2H3,(H2,16,17,18);1H
InChIKeyUGBRUDYDRUAYDQ-UHFFFAOYSA-N
MW393.32 g/mol
LogP2.64
Rot. Bonds9

About 1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide

1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide (PubChem CID 111160602) has the molecular formula C14H28IN5 and a molecular weight of 393.32 g/mol. Its IUPAC name is 1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
PubChem CID111160602
Molecular FormulaC14H28IN5
Molecular Weight393.32 g/mol
Exact Mass393.14
IUPAC Name1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
SMILESCCCCCC/N=C(\NCC)NCCn1ccnc1.I
InChIInChI=1S/C14H27N5.HI/c1-3-5-6-7-8-17-14(16-4-2)18-10-12-19-11-9-15-13-19;/h9,11,13H,3-8,10,12H2,1-2H3,(H2,16,17,18);1H
InChIKeyUGBRUDYDRUAYDQ-UHFFFAOYSA-N
XLogP2.64
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975814
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401338
tert-butyl N-[3-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111886454
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146272
2-[2-(4-tert-butylphenyl)ethyl]-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111892068
1-ethyl-2-[3-(4-fluorophenyl)sulfanylpropyl]-3-(2-imidazol-1-ylethyl)guanidine
CID 111311382
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine
CID 111233809
N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927137
1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111361966
1-ethyl-2-(3-imidazol-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194497
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 111197354

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide (CID 111160602) is 1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide is CCCCCC/N=C(\NCC)NCCn1ccnc1.I.
What is the InChIKey of 1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The InChIKey is UGBRUDYDRUAYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5.HI/c1-3-5-6-7-8-17-14(16-4-2)18-10-12-19-11-9-15-13-19;/h9,11,13H,3-8,10,12H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide has a molecular weight of 393.32 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111160602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).