2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine

C11H18N4O — CID 111025296

IUPAC2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
SMILESCC(O)C/N=C(\N)NCCc1ccccn1
InChIInChI=1S/C11H18N4O/c1-9(16)8-15-11(12)14-7-5-10-4-2-3-6-13-10/h2-4,6,9,16H,5,7-8H2,1H3,(H3,12,14,15)
InChIKeyPLJBXJPCZHQRKL-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.09
Rot. Bonds5

About 2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine

2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111025296) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111025296
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
SMILESCC(O)C/N=C(\N)NCCc1ccccn1
InChIInChI=1S/C11H18N4O/c1-9(16)8-15-11(12)14-7-5-10-4-2-3-6-13-10/h2-4,6,9,16H,5,7-8H2,1H3,(H3,12,14,15)
InChIKeyPLJBXJPCZHQRKL-UHFFFAOYSA-N
XLogP-0.09
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.09
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-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111816863
2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111058070
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559
1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111704436
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
2-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111074682
2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111673485
2-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 95761539
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine (CID 111025296) is 2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine is CC(O)C/N=C(\N)NCCc1ccccn1.
What is the InChIKey of 2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is PLJBXJPCZHQRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(16)8-15-11(12)14-7-5-10-4-2-3-6-13-10/h2-4,6,9,16H,5,7-8H2,1H3,(H3,12,14,15).
What are the key properties of 2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine?
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 222.29 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111025296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).