2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C19H24IN5 — CID 111030155

IUPAC2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCCn1ccc2ccccc21)NCCc1ccccn1
InChIInChI=1S/C19H23N5.HI/c20-19(23-13-9-17-7-3-4-11-21-17)22-12-5-14-24-15-10-16-6-1-2-8-18(16)24;/h1-4,6-8,10-11,15H,5,9,12-14H2,(H3,20,22,23);1H
InChIKeyPVCRJWFWWCRBIZ-UHFFFAOYSA-N
MW449.34 g/mol
LogP3.19
Rot. Bonds7

About 2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111030155) has the molecular formula C19H24IN5 and a molecular weight of 449.34 g/mol. Its IUPAC name is 2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111030155
Molecular FormulaC19H24IN5
Molecular Weight449.34 g/mol
Exact Mass449.11
IUPAC Name2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCCn1ccc2ccccc21)NCCc1ccccn1
InChIInChI=1S/C19H23N5.HI/c20-19(23-13-9-17-7-3-4-11-21-17)22-12-5-14-24-15-10-16-6-1-2-8-18(16)24;/h1-4,6-8,10-11,15H,5,9,12-14H2,(H3,20,22,23);1H
InChIKeyPVCRJWFWWCRBIZ-UHFFFAOYSA-N
XLogP3.19
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 53.19
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

2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
1-(2-pyridin-2-ylethyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111043415
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111810662
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111040718
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111059887
1-(2-pyridin-2-ylethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062124
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111066396

Frequently Asked Questions

What is the IUPAC name of 2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111030155) is 2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is I.N/C(=N\CCCn1ccc2ccccc21)NCCc1ccccn1.
What is the InChIKey of 2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is PVCRJWFWWCRBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5.HI/c20-19(23-13-9-17-7-3-4-11-21-17)22-12-5-14-24-15-10-16-6-1-2-8-18(16)24;/h1-4,6-8,10-11,15H,5,9,12-14H2,(H3,20,22,23);1H.
What are the key properties of 2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 449.34 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111030155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).