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

C16H23IN4S — CID 111673485

IUPAC2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCCc1ccccn1)Cc1cccs1.I
InChIInChI=1S/C16H22N4S.HI/c1-13(11-15-6-4-10-21-15)12-20-16(17)19-9-7-14-5-2-3-8-18-14;/h2-6,8,10,13H,7,9,11-12H2,1H3,(H3,17,19,20);1H
InChIKeyGMFPQTWWILTVLI-UHFFFAOYSA-N
MW430.36 g/mol
LogP3.09
Rot. Bonds7

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

2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111673485) has the molecular formula C16H23IN4S and a molecular weight of 430.36 g/mol. Its IUPAC name is 2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111673485
Molecular FormulaC16H23IN4S
Molecular Weight430.36 g/mol
Exact Mass430.07
IUPAC Name2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCC(C/N=C(\N)NCCc1ccccn1)Cc1cccs1.I
InChIInChI=1S/C16H22N4S.HI/c1-13(11-15-6-4-10-21-15)12-20-16(17)19-9-7-14-5-2-3-8-18-14;/h2-6,8,10,13H,7,9,11-12H2,1H3,(H3,17,19,20);1H
InChIKeyGMFPQTWWILTVLI-UHFFFAOYSA-N
XLogP3.09
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111816863
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673165
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559
2-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111074682
2-(2-methyl-3-thiophen-2-ylpropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111820061
1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111704436
1-(2-methylprop-2-enyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 136926885
2-methyl-1-(2-pyridin-2-ylethyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111191177
2-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 95761539
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111820120

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111673485) is 2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CC(C/N=C(\N)NCCc1ccccn1)Cc1cccs1.I.
What is the InChIKey of 2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is GMFPQTWWILTVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S.HI/c1-13(11-15-6-4-10-21-15)12-20-16(17)19-9-7-14-5-2-3-8-18-14;/h2-6,8,10,13H,7,9,11-12H2,1H3,(H3,17,19,20);1H.
What are the key properties of 2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 430.36 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111673485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).