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

C15H29IN6 — CID 119145973

IUPAC1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1cnc(N(C)C)n1C)NC1CCCCC1.I
InChIInChI=1S/C15H28N6.HI/c1-16-14(19-12-8-6-5-7-9-12)17-10-13-11-18-15(20(2)3)21(13)4;/h11-12H,5-10H2,1-4H3,(H2,16,17,19);1H
InChIKeyNGASPVRCJUGUAS-UHFFFAOYSA-N
MW420.34 g/mol
LogP2.10
Rot. Bonds4

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

1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide (PubChem CID 119145973) has the molecular formula C15H29IN6 and a molecular weight of 420.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
PubChem CID119145973
Molecular FormulaC15H29IN6
Molecular Weight420.34 g/mol
Exact Mass420.15
IUPAC Name1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1cnc(N(C)C)n1C)NC1CCCCC1.I
InChIInChI=1S/C15H28N6.HI/c1-16-14(19-12-8-6-5-7-9-12)17-10-13-11-18-15(20(2)3)21(13)4;/h11-12H,5-10H2,1-4H3,(H2,16,17,19);1H
InChIKeyNGASPVRCJUGUAS-UHFFFAOYSA-N
XLogP2.10
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 52.10
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-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119138379
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-(4,4-dimethylcyclohexyl)-2-methylguanidine
CID 119159865
1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119159760
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
CID 119159858
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
CID 119159768
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methylguanidine
CID 119160072
1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
CID 119140035
1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119140036
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
1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 109400686
1-[1-(2-bromophenyl)ethyl]-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 119159586

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide (CID 119145973) is 1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide is C/N=C(\NCc1cnc(N(C)C)n1C)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide?
The InChIKey is NGASPVRCJUGUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6.HI/c1-16-14(19-12-8-6-5-7-9-12)17-10-13-11-18-15(20(2)3)21(13)4;/h11-12H,5-10H2,1-4H3,(H2,16,17,19);1H.
What are the key properties of 1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide?
1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide has a molecular weight of 420.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119145973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).