1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide

C13H21ClIN3 — CID 110920824

IUPAC1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCC(C)(C)c1ccc(Cl)cc1.I
InChIInChI=1S/C13H20ClN3.HI/c1-13(2,9-17-12(15-3)16-4)10-5-7-11(14)8-6-10;/h5-8H,9H2,1-4H3,(H2,15,16,17);1H
InChIKeyXYOCOIZNNNEZAC-UHFFFAOYSA-N
MW381.69 g/mol
LogP3.03
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide

1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 110920824) has the molecular formula C13H21ClIN3 and a molecular weight of 381.69 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID110920824
Molecular FormulaC13H21ClIN3
Molecular Weight381.69 g/mol
Exact Mass381.05
IUPAC Name1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCC(C)(C)c1ccc(Cl)cc1.I
InChIInChI=1S/C13H20ClN3.HI/c1-13(2,9-17-12(15-3)16-4)10-5-7-11(14)8-6-10;/h5-8H,9H2,1-4H3,(H2,15,16,17);1H
InChIKeyXYOCOIZNNNEZAC-UHFFFAOYSA-N
XLogP3.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.69
LogP ≤ 53.03
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

1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine
CID 110920825
1-[2-(4-bromophenyl)-2-methylpropyl]-2,3-dimethylguanidine
CID 110920080
1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide
CID 110928094
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide
CID 111105582
1-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951232
3-[2-[[N-[2-(4-chlorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634238
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111944405
1-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111707683
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110914009
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide (CID 110920824) is 1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCC(C)(C)c1ccc(Cl)cc1.I.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is XYOCOIZNNNEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3.HI/c1-13(2,9-17-12(15-3)16-4)10-5-7-11(14)8-6-10;/h5-8H,9H2,1-4H3,(H2,15,16,17);1H.
What are the key properties of 1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide?
1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 381.69 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110920824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).