2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

C18H30IN5O — CID 111836404

IUPAC2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCC)NCCc1cn2cccc(C)c2n1.I
InChIInChI=1S/C18H29N5O.HI/c1-4-19-18(20-10-7-13-24-5-2)21-11-9-16-14-23-12-6-8-15(3)17(23)22-16;/h6,8,12,14H,4-5,7,9-11,13H2,1-3H3,(H2,19,20,21);1H
InChIKeySEDCBRUAEWBGME-UHFFFAOYSA-N
MW459.38 g/mol
LogP2.78
Rot. Bonds9

About 2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 111836404) has the molecular formula C18H30IN5O and a molecular weight of 459.38 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
PubChem CID111836404
Molecular FormulaC18H30IN5O
Molecular Weight459.38 g/mol
Exact Mass459.15
IUPAC Name2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCC)NCCc1cn2cccc(C)c2n1.I
InChIInChI=1S/C18H29N5O.HI/c1-4-19-18(20-10-7-13-24-5-2)21-11-9-16-14-23-12-6-8-15(3)17(23)22-16;/h6,8,12,14H,4-5,7,9-11,13H2,1-3H3,(H2,19,20,21);1H
InChIKeySEDCBRUAEWBGME-UHFFFAOYSA-N
XLogP2.78
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 52.78
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

2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111945248
1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111839214
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836314
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836748
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine
CID 111837347
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111837266
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111833976
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834882
1-ethyl-2-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 109446050
1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111835870
2-(3-ethoxypropyl)-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111223168
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903884

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (CID 111836404) is 2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCCOCC)NCCc1cn2cccc(C)c2n1.I.
What is the InChIKey of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is SEDCBRUAEWBGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O.HI/c1-4-19-18(20-10-7-13-24-5-2)21-11-9-16-14-23-12-6-8-15(3)17(23)22-16;/h6,8,12,14H,4-5,7,9-11,13H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 459.38 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111836404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).