1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide

C16H28IN5 — CID 109400686

IUPAC1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1cccc(N(C)C)n1)NC1CCCCC1.I
InChIInChI=1S/C16H27N5.HI/c1-17-16(20-13-8-5-4-6-9-13)18-12-14-10-7-11-15(19-14)21(2)3;/h7,10-11,13H,4-6,8-9,12H2,1-3H3,(H2,17,18,20);1H
InChIKeyBALDSGAGHWBTMV-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.76
Rot. Bonds4

About 1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide

1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide (PubChem CID 109400686) has the molecular formula C16H28IN5 and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide
PubChem CID109400686
Molecular FormulaC16H28IN5
Molecular Weight417.34 g/mol
Exact Mass417.14
IUPAC Name1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1cccc(N(C)C)n1)NC1CCCCC1.I
InChIInChI=1S/C16H27N5.HI/c1-17-16(20-13-8-5-4-6-9-13)18-12-14-10-7-11-15(19-14)21(2)3;/h7,10-11,13H,4-6,8-9,12H2,1-3H3,(H2,17,18,20);1H
InChIKeyBALDSGAGHWBTMV-UHFFFAOYSA-N
XLogP2.76
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
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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Related Compounds

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(4-ethylcyclohexyl)-2-methylguanidine
CID 109405071
N-cyclopropyl-3-[[N-[[6-(dimethylamino)-2-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide
CID 109405958
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 109407268
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine;hydroiodide
CID 109405694
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[1-(4-methylphenyl)piperidin-3-yl]guanidine
CID 109406220
2-[4-[[N-[[6-(dimethylamino)-2-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 109405119
1-cyclopentyl-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine
CID 111964011
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine
CID 75514090
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119140089
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 109404730
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109401421
1-cyclopentyl-3-[[3-(dimethylamino)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110992770

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide (CID 109400686) is 1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide is C/N=C(\NCc1cccc(N(C)C)n1)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide?
The InChIKey is BALDSGAGHWBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5.HI/c1-17-16(20-13-8-5-4-6-9-13)18-12-14-10-7-11-15(19-14)21(2)3;/h7,10-11,13H,4-6,8-9,12H2,1-3H3,(H2,17,18,20);1H.
What are the key properties of 1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide?
1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide has a molecular weight of 417.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 109400686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).