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

C15H25ClIN3 — CID 110928094

IUPAC1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide
SMILESCCC(CC)(CN/C(=N/C)NC)c1ccc(Cl)cc1.I
InChIInChI=1S/C15H24ClN3.HI/c1-5-15(6-2,11-19-14(17-3)18-4)12-7-9-13(16)10-8-12;/h7-10H,5-6,11H2,1-4H3,(H2,17,18,19);1H
InChIKeyVMGFWLURQWUKNL-UHFFFAOYSA-N
MW409.74 g/mol
LogP3.81
Rot. Bonds5

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

1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 110928094) has the molecular formula C15H25ClIN3 and a molecular weight of 409.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID110928094
Molecular FormulaC15H25ClIN3
Molecular Weight409.74 g/mol
Exact Mass409.08
IUPAC Name1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide
SMILESCCC(CC)(CN/C(=N/C)NC)c1ccc(Cl)cc1.I
InChIInChI=1S/C15H24ClN3.HI/c1-5-15(6-2,11-19-14(17-3)18-4)12-7-9-13(16)10-8-12;/h7-10H,5-6,11H2,1-4H3,(H2,17,18,19);1H
InChIKeyVMGFWLURQWUKNL-UHFFFAOYSA-N
XLogP3.81
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.74
LogP ≤ 53.81
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-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide
CID 111465793
1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide
CID 110920824
1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine
CID 110920825
1-[2-(4-chlorophenyl)-2-ethylbutyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954666
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110914009
1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
CID 119768490
1-(2-ethyl-2-phenylbutyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111491715
1-(2-ethyl-2-phenylbutyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111989750
4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide
CID 60621325
1-[2-(4-bromophenyl)-2-methylpropyl]-2,3-dimethylguanidine
CID 110920080
1-(2-ethyl-2-phenylbutyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111500516
1-(2-ethyl-2-phenylbutyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494061

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide (CID 110928094) is 1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide is CCC(CC)(CN/C(=N/C)NC)c1ccc(Cl)cc1.I.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is VMGFWLURQWUKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3.HI/c1-5-15(6-2,11-19-14(17-3)18-4)12-7-9-13(16)10-8-12;/h7-10H,5-6,11H2,1-4H3,(H2,17,18,19);1H.
What are the key properties of 1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide?
1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 409.74 g/mol, XLogP of 3.81, 5 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-ethylbutyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110928094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).