2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

C14H20IN5 — CID 120727880

IUPAC2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N#CC1CCC(C/N=C(\N)Nc2ccccn2)CC1
InChIInChI=1S/C14H19N5.HI/c15-9-11-4-6-12(7-5-11)10-18-14(16)19-13-3-1-2-8-17-13;/h1-3,8,11-12H,4-7,10H2,(H3,16,17,18,19);1H
InChIKeyFEWHQGIHKBUQMK-UHFFFAOYSA-N
MW385.25 g/mol
LogP2.76
Rot. Bonds3

About 2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 120727880) has the molecular formula C14H20IN5 and a molecular weight of 385.25 g/mol. Its IUPAC name is 2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID120727880
Molecular FormulaC14H20IN5
Molecular Weight385.25 g/mol
Exact Mass385.08
IUPAC Name2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N#CC1CCC(C/N=C(\N)Nc2ccccn2)CC1
InChIInChI=1S/C14H19N5.HI/c15-9-11-4-6-12(7-5-11)10-18-14(16)19-13-3-1-2-8-17-13;/h1-3,8,11-12H,4-7,10H2,(H3,16,17,18,19);1H
InChIKeyFEWHQGIHKBUQMK-UHFFFAOYSA-N
XLogP2.76
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 120727880) is 2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is I.N#CC1CCC(C/N=C(\N)Nc2ccccn2)CC1.
What is the InChIKey of 2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is FEWHQGIHKBUQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5.HI/c15-9-11-4-6-12(7-5-11)10-18-14(16)19-13-3-1-2-8-17-13;/h1-3,8,11-12H,4-7,10H2,(H3,16,17,18,19);1H.
What are the key properties of 2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 385.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 120727880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).