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

C12H24IN5O — CID 110975814

IUPAC1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOC)NCCn1ccnc1.I
InChIInChI=1S/C12H23N5O.HI/c1-3-14-12(15-5-4-10-18-2)16-7-9-17-8-6-13-11-17;/h6,8,11H,3-5,7,9-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyYLTUYGPFTGQYGK-UHFFFAOYSA-N
MW381.26 g/mol
LogP1.09
Rot. Bonds8

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

1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide (PubChem CID 110975814) has the molecular formula C12H24IN5O and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
PubChem CID110975814
Molecular FormulaC12H24IN5O
Molecular Weight381.26 g/mol
Exact Mass381.10
IUPAC Name1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOC)NCCn1ccnc1.I
InChIInChI=1S/C12H23N5O.HI/c1-3-14-12(15-5-4-10-18-2)16-7-9-17-8-6-13-11-17;/h6,8,11H,3-5,7,9-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyYLTUYGPFTGQYGK-UHFFFAOYSA-N
XLogP1.09
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401338
1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111160602
1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111652093
tert-butyl N-[3-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111886454
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481
1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine
CID 116514877
1-ethyl-2-[3-(4-fluorophenyl)sulfanylpropyl]-3-(2-imidazol-1-ylethyl)guanidine
CID 111311382
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146272
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 111393055
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111574410
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(3-imidazol-1-ylpropyl)guanidine;hydroiodide
CID 111215192
2-[2-(4-tert-butylphenyl)ethyl]-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111892068

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide (CID 110975814) is 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide is CCN/C(=N\CCCOC)NCCn1ccnc1.I.
What is the InChIKey of 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide?
The InChIKey is YLTUYGPFTGQYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O.HI/c1-3-14-12(15-5-4-10-18-2)16-7-9-17-8-6-13-11-17;/h6,8,11H,3-5,7,9-10H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide?
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide has a molecular weight of 381.26 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 110975814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).