1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide

C13H20FIN4 — CID 119164307

IUPAC1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(F)cn1)NC1CCCCC1
InChIInChI=1S/C13H19FN4.HI/c14-10-6-7-12(16-8-10)9-17-13(15)18-11-4-2-1-3-5-11;/h6-8,11H,1-5,9H2,(H3,15,17,18);1H
InChIKeyJMXKPXLQIVFHCX-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.58
Rot. Bonds3

About 1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide

1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 119164307) has the molecular formula C13H20FIN4 and a molecular weight of 378.23 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID119164307
Molecular FormulaC13H20FIN4
Molecular Weight378.23 g/mol
Exact Mass378.07
IUPAC Name1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(F)cn1)NC1CCCCC1
InChIInChI=1S/C13H19FN4.HI/c14-10-6-7-12(16-8-10)9-17-13(15)18-11-4-2-1-3-5-11;/h6-8,11H,1-5,9H2,(H3,15,17,18);1H
InChIKeyJMXKPXLQIVFHCX-UHFFFAOYSA-N
XLogP2.58
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.58
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

1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164279
N'-[(5-fluoro-2-pyridinyl)methyl]azepane-1-carboximidamide
CID 119164304
1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096466
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine
CID 19866588
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine
CID 120913740
1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine
CID 119164154
1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine
CID 122098192
1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111091803
1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111039863

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide (CID 119164307) is 1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide is I.N/C(=N\Cc1ccc(F)cn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is JMXKPXLQIVFHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4.HI/c14-10-6-7-12(16-8-10)9-17-13(15)18-11-4-2-1-3-5-11;/h6-8,11H,1-5,9H2,(H3,15,17,18);1H.
What are the key properties of 1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 378.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119164307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).