2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide

C13H20ClIN4 — CID 111041906

IUPAC2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Cl)nc1)NC1CCCCC1
InChIInChI=1S/C13H19ClN4.HI/c14-12-7-6-10(8-16-12)9-17-13(15)18-11-4-2-1-3-5-11;/h6-8,11H,1-5,9H2,(H3,15,17,18);1H
InChIKeyFAGKREJTLOXGTD-UHFFFAOYSA-N
MW394.69 g/mol
LogP3.09
Rot. Bonds3

About 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide

2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide (PubChem CID 111041906) has the molecular formula C13H20ClIN4 and a molecular weight of 394.69 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
PubChem CID111041906
Molecular FormulaC13H20ClIN4
Molecular Weight394.69 g/mol
Exact Mass394.04
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Cl)nc1)NC1CCCCC1
InChIInChI=1S/C13H19ClN4.HI/c14-12-7-6-10(8-16-12)9-17-13(15)18-11-4-2-1-3-5-11;/h6-8,11H,1-5,9H2,(H3,15,17,18);1H
InChIKeyFAGKREJTLOXGTD-UHFFFAOYSA-N
XLogP3.09
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.69
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110916460
1-cyclohexyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111048820
2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine
CID 122097406
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194
2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
CID 143232776
1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049108
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111091803
1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 119118549

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide (CID 111041906) is 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide is I.N/C(=N\Cc1ccc(Cl)nc1)NC1CCCCC1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide?
The InChIKey is FAGKREJTLOXGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4.HI/c14-12-7-6-10(8-16-12)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 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide?
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide has a molecular weight of 394.69 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide is sourced from PubChem (CID 111041906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).