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

C11H21IN6 — CID 119147427

IUPAC1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
SMILESCN(C)c1ncc(C/N=C(\N)NC2CC2)n1C.I
InChIInChI=1S/C11H20N6.HI/c1-16(2)11-14-7-9(17(11)3)6-13-10(12)15-8-4-5-8;/h7-8H,4-6H2,1-3H3,(H3,12,13,15);1H
InChIKeyVSMGVERGVOYXBX-UHFFFAOYSA-N
MW364.24 g/mol
LogP0.67
Rot. Bonds4

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

1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide (PubChem CID 119147427) has the molecular formula C11H21IN6 and a molecular weight of 364.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
PubChem CID119147427
Molecular FormulaC11H21IN6
Molecular Weight364.24 g/mol
Exact Mass364.09
IUPAC Name1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
SMILESCN(C)c1ncc(C/N=C(\N)NC2CC2)n1C.I
InChIInChI=1S/C11H20N6.HI/c1-16(2)11-14-7-9(17(11)3)6-13-10(12)15-8-4-5-8;/h7-8H,4-6H2,1-3H3,(H3,12,13,15);1H
InChIKeyVSMGVERGVOYXBX-UHFFFAOYSA-N
XLogP0.67
TPSA71.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 50.67
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-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
CID 119147417
1-cyclopentyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine
CID 119147380
2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119147411
2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 119147413
1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119138379
1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 119145973
1-cyclohexyl-2-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119146702
2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 120762688
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110916460
4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110914653
1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 103677225
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide (CID 119147427) is 1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide is CN(C)c1ncc(C/N=C(\N)NC2CC2)n1C.I.
What is the InChIKey of 1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide?
The InChIKey is VSMGVERGVOYXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6.HI/c1-16(2)11-14-7-9(17(11)3)6-13-10(12)15-8-4-5-8;/h7-8H,4-6H2,1-3H3,(H3,12,13,15);1H.
What are the key properties of 1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide has a molecular weight of 364.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 119147427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).