2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C18H24ClIN4 — CID 111073574

IUPAC2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCC(C)(C/N=C(\N)NCCc1ccccn1)c1ccc(Cl)cc1.I
InChIInChI=1S/C18H23ClN4.HI/c1-18(2,14-6-8-15(19)9-7-14)13-23-17(20)22-12-10-16-5-3-4-11-21-16;/h3-9,11H,10,12-13H2,1-2H3,(H3,20,22,23);1H
InChIKeyVYEHMTGMCJNCBB-UHFFFAOYSA-N
MW458.78 g/mol
LogP3.78
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111073574) has the molecular formula C18H24ClIN4 and a molecular weight of 458.78 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111073574
Molecular FormulaC18H24ClIN4
Molecular Weight458.78 g/mol
Exact Mass458.07
IUPAC Name2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCC(C)(C/N=C(\N)NCCc1ccccn1)c1ccc(Cl)cc1.I
InChIInChI=1S/C18H23ClN4.HI/c1-18(2,14-6-8-15(19)9-7-14)13-23-17(20)22-12-10-16-5-3-4-11-21-16;/h3-9,11H,10,12-13H2,1-2H3,(H3,20,22,23);1H
InChIKeyVYEHMTGMCJNCBB-UHFFFAOYSA-N
XLogP3.78
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.78
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111093363
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111101364
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111101365
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111095362
1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192995
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192996
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111690437
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111100736
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111612222
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111073574) is 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CC(C)(C/N=C(\N)NCCc1ccccn1)c1ccc(Cl)cc1.I.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is VYEHMTGMCJNCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4.HI/c1-18(2,14-6-8-15(19)9-7-14)13-23-17(20)22-12-10-16-5-3-4-11-21-16;/h3-9,11H,10,12-13H2,1-2H3,(H3,20,22,23);1H.
What are the key properties of 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 458.78 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111073574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).