1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide

C16H34IN5 — CID 111752643

IUPAC1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
SMILESCN(C)C1CCN(CC/N=C(\N)NC2CCCCC2)CC1.I
InChIInChI=1S/C16H33N5.HI/c1-20(2)15-8-11-21(12-9-15)13-10-18-16(17)19-14-6-4-3-5-7-14;/h14-15H,3-13H2,1-2H3,(H3,17,18,19);1H
InChIKeyOYMXDALZYQQMPS-UHFFFAOYSA-N
MW423.39 g/mol
LogP1.87
Rot. Bonds5

About 1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide

1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide (PubChem CID 111752643) has the molecular formula C16H34IN5 and a molecular weight of 423.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
PubChem CID111752643
Molecular FormulaC16H34IN5
Molecular Weight423.39 g/mol
Exact Mass423.19
IUPAC Name1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
SMILESCN(C)C1CCN(CC/N=C(\N)NC2CCCCC2)CC1.I
InChIInChI=1S/C16H33N5.HI/c1-20(2)15-8-11-21(12-9-15)13-10-18-16(17)19-14-6-4-3-5-7-14;/h14-15H,3-13H2,1-2H3,(H3,17,18,19);1H
InChIKeyOYMXDALZYQQMPS-UHFFFAOYSA-N
XLogP1.87
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 51.87
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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Related Compounds

1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 62367881
1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide
CID 75495270
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
CID 111567374
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119147656
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110921200
1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056913
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine
CID 111084877

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide (CID 111752643) is 1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide is CN(C)C1CCN(CC/N=C(\N)NC2CCCCC2)CC1.I.
What is the InChIKey of 1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide?
The InChIKey is OYMXDALZYQQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5.HI/c1-20(2)15-8-11-21(12-9-15)13-10-18-16(17)19-14-6-4-3-5-7-14;/h14-15H,3-13H2,1-2H3,(H3,17,18,19);1H.
What are the key properties of 1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide?
1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide has a molecular weight of 423.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111752643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).