1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide

C11H24IN3S — CID 110958480

IUPAC1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCSC)NC1CCCCC1.I
InChIInChI=1S/C11H23N3S.HI/c1-12-11(13-8-9-15-2)14-10-6-4-3-5-7-10;/h10H,3-9H2,1-2H3,(H2,12,13,14);1H
InChIKeyOWMBFBLSTWEKFW-UHFFFAOYSA-N
MW357.31 g/mol
LogP2.47
Rot. Bonds4

About 1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide

1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide (PubChem CID 110958480) has the molecular formula C11H24IN3S and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
PubChem CID110958480
Molecular FormulaC11H24IN3S
Molecular Weight357.31 g/mol
Exact Mass357.07
IUPAC Name1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCSC)NC1CCCCC1.I
InChIInChI=1S/C11H23N3S.HI/c1-12-11(13-8-9-15-2)14-10-6-4-3-5-7-10;/h10H,3-9H2,1-2H3,(H2,12,13,14);1H
InChIKeyOWMBFBLSTWEKFW-UHFFFAOYSA-N
XLogP2.47
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine;hydroiodide
CID 119116671
1-cyclopentyl-2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]guanidine
CID 119116672
2-methyl-1-(2-methylsulfanylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319262
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111141602
1-cyclohexyl-2-methyl-3-pent-3-enylguanidine;hydroiodide
CID 111587838
1-cyclopentyl-2-methyl-3-[2-(4-methylphenyl)sulfanylethyl]guanidine;hydroiodide
CID 110992038
1-(2-cyclopropylethyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111604908
1-cyclohexyl-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 110958106
1-[2-(azepan-1-yl)ethyl]-3-cyclopentyl-2-methylguanidine
CID 110990169
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344192
N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 110958342
1-cyclopentyl-3-[3-(methanesulfonamido)propyl]-2-methylguanidine;hydroiodide
CID 110990818

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide (CID 110958480) is 1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide is C/N=C(\NCCSC)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide?
The InChIKey is OWMBFBLSTWEKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S.HI/c1-12-11(13-8-9-15-2)14-10-6-4-3-5-7-10;/h10H,3-9H2,1-2H3,(H2,12,13,14);1H.
What are the key properties of 1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide?
1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide has a molecular weight of 357.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110958480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).