2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide

C15H24IN3 — CID 110912555

IUPAC2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
SMILESCC1CCCCC1C/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C15H23N3.HI/c1-12-7-5-6-8-13(12)11-17-15(16)18-14-9-3-2-4-10-14;/h2-4,9-10,12-13H,5-8,11H2,1H3,(H3,16,17,18);1H
InChIKeyZHIRXQCNYOEBAO-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.86
Rot. Bonds3

About 2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide

2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110912555) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
PubChem CID110912555
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC Name2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
SMILESCC1CCCCC1C/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C15H23N3.HI/c1-12-7-5-6-8-13(12)11-17-15(16)18-14-9-3-2-4-10-14;/h2-4,9-10,12-13H,5-8,11H2,1H3,(H3,16,17,18);1H
InChIKeyZHIRXQCNYOEBAO-UHFFFAOYSA-N
XLogP3.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2-[(2-methylcyclopropyl)methyl]-1-phenylguanidine
CID 115600996
2-[[2-(methanesulfonamido)cyclohexyl]methyl]-1-phenylguanidine;hydroiodide
CID 120973222
2-(cyclopropylmethyl)-1-phenylguanidine
CID 62364047
1-phenyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800092
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110912442
2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 120606169
2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
CID 111428491
2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-1-phenylguanidine;hydroiodide
CID 111456572
2-[4-(2-methylpiperidin-1-yl)butyl]-1-phenylguanidine;hydroiodide
CID 110915715
2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine
CID 120606170
2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine;hydroiodide
CID 110935374
1-(3,5-dimethylphenyl)-2-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 111075070

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide (CID 110912555) is 2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide is CC1CCCCC1C/N=C(\N)Nc1ccccc1.I.
What is the InChIKey of 2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is ZHIRXQCNYOEBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.HI/c1-12-7-5-6-8-13(12)11-17-15(16)18-14-9-3-2-4-10-14;/h2-4,9-10,12-13H,5-8,11H2,1H3,(H3,16,17,18);1H.
What are the key properties of 2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide?
2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 373.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110912555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).