1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide

C14H27IN6 — CID 119147417

IUPAC1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
SMILESCN(C)c1ncc(C/N=C(\N)NC2CCCCC2)n1C.I
InChIInChI=1S/C14H26N6.HI/c1-19(2)14-17-10-12(20(14)3)9-16-13(15)18-11-7-5-4-6-8-11;/h10-11H,4-9H2,1-3H3,(H3,15,16,18);1H
InChIKeyMCNXSXBCRRQZIL-UHFFFAOYSA-N
MW406.32 g/mol
LogP1.84
Rot. Bonds4

About 1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide

1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide (PubChem CID 119147417) has the molecular formula C14H27IN6 and a molecular weight of 406.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
PubChem CID119147417
Molecular FormulaC14H27IN6
Molecular Weight406.32 g/mol
Exact Mass406.13
IUPAC Name1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
SMILESCN(C)c1ncc(C/N=C(\N)NC2CCCCC2)n1C.I
InChIInChI=1S/C14H26N6.HI/c1-19(2)14-17-10-12(20(14)3)9-16-13(15)18-11-7-5-4-6-8-11;/h10-11H,4-9H2,1-3H3,(H3,15,16,18);1H
InChIKeyMCNXSXBCRRQZIL-UHFFFAOYSA-N
XLogP1.84
TPSA71.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine
CID 119147380
1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
CID 119147427
2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119147411
1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 119145973
2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 119147413
1-cyclohexyl-2-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119146702
1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119138379
1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752643
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164307
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-(4,4-dimethylcyclohexyl)-2-methylguanidine
CID 119159865
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide (CID 119147417) is 1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide is CN(C)c1ncc(C/N=C(\N)NC2CCCCC2)n1C.I.
What is the InChIKey of 1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide?
The InChIKey is MCNXSXBCRRQZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6.HI/c1-19(2)14-17-10-12(20(14)3)9-16-13(15)18-11-7-5-4-6-8-11;/h10-11H,4-9H2,1-3H3,(H3,15,16,18);1H.
What are the key properties of 1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide has a molecular weight of 406.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 119147417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).