1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide

C11H16F3IN4 — CID 111800785

IUPAC1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCC(F)(F)F)NCCc1ccccn1
InChIInChI=1S/C11H15F3N4.HI/c12-11(13,14)5-8-18-10(15)17-7-4-9-3-1-2-6-16-9;/h1-3,6H,4-5,7-8H2,(H3,15,17,18);1H
InChIKeyDDJHMDFGIJMLLB-UHFFFAOYSA-N
MW388.18 g/mol
LogP2.10
Rot. Bonds5

About 1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide

1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide (PubChem CID 111800785) has the molecular formula C11H16F3IN4 and a molecular weight of 388.18 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
PubChem CID111800785
Molecular FormulaC11H16F3IN4
Molecular Weight388.18 g/mol
Exact Mass388.04
IUPAC Name1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCC(F)(F)F)NCCc1ccccn1
InChIInChI=1S/C11H15F3N4.HI/c12-11(13,14)5-8-18-10(15)17-7-4-9-3-1-2-6-16-9;/h1-3,6H,4-5,7-8H2,(H3,15,17,18);1H
InChIKeyDDJHMDFGIJMLLB-UHFFFAOYSA-N
XLogP2.10
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-octyl-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024681
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934
2-hexyl-1-(2-pyridin-2-ylethyl)guanidine
CID 111023818
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-(3-methylsulfanylpropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111769363
2-[(3-methyl-2-pyridinyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111802397
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111101364
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
2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111600960

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide (CID 111800785) is 1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide is I.N/C(=N\CCC(F)(F)F)NCCc1ccccn1.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The InChIKey is DDJHMDFGIJMLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4.HI/c12-11(13,14)5-8-18-10(15)17-7-4-9-3-1-2-6-16-9;/h1-3,6H,4-5,7-8H2,(H3,15,17,18);1H.
What are the key properties of 1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide has a molecular weight of 388.18 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide is sourced from PubChem (CID 111800785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).