2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine

C11H19N3OS — CID 111823877

IUPAC2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC(C)(O)c1cccs1
InChIInChI=1S/C11H19N3OS/c1-3-6-13-10(12)14-8-11(2,15)9-5-4-7-16-9/h4-5,7,15H,3,6,8H2,1-2H3,(H3,12,13,14)
InChIKeyGJTWLXPTSYKWKI-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.27
Rot. Bonds5

About 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine

2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine (PubChem CID 111823877) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine.

Molecular Properties

Compound Name2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine
PubChem CID111823877
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC(C)(O)c1cccs1
InChIInChI=1S/C11H19N3OS/c1-3-6-13-10(12)14-8-11(2,15)9-5-4-7-16-9/h4-5,7,15H,3,6,8H2,1-2H3,(H3,12,13,14)
InChIKeyGJTWLXPTSYKWKI-UHFFFAOYSA-N
XLogP1.27
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823896
1-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111582730
1-(cyclobutylmethyl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 111823895
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide
CID 111444563
1-(4-ethylphenyl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823834
2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-propylguanidine
CID 111823975
1,1-diethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823890
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-(6-methylheptan-2-yl)guanidine
CID 111823821
1-ethyl-3-(3-fluoropropyl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 109419502
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111823846
1-(2-ethoxyethyl)-3-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 109418706
1-(4,4-dimethylpentyl)-3-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109420541

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine?
The IUPAC name of 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine (CID 111823877) is 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine.
What is the SMILES notation for 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine?
The canonical SMILES for 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine is CCCN/C(N)=N/CC(C)(O)c1cccs1.
What is the InChIKey of 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine?
The InChIKey is GJTWLXPTSYKWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-6-13-10(12)14-8-11(2,15)9-5-4-7-16-9/h4-5,7,15H,3,6,8H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine?
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine has a molecular weight of 241.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine is sourced from PubChem (CID 111823877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).