1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide

C14H24IN3O — CID 111814657

IUPAC1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
SMILESCOC(C)(C)C/N=C(\N)Nc1ccc(C)c(C)c1.I
InChIInChI=1S/C14H23N3O.HI/c1-10-6-7-12(8-11(10)2)17-13(15)16-9-14(3,4)18-5;/h6-8H,9H2,1-5H3,(H3,15,16,17);1H
InChIKeyXBOAJBNBATWBNA-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.07
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide

1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide (PubChem CID 111814657) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
PubChem CID111814657
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
SMILESCOC(C)(C)C/N=C(\N)Nc1ccc(C)c(C)c1.I
InChIInChI=1S/C14H23N3O.HI/c1-10-6-7-12(8-11(10)2)17-13(15)16-9-14(3,4)18-5;/h6-8H,9H2,1-5H3,(H3,15,16,17);1H
InChIKeyXBOAJBNBATWBNA-UHFFFAOYSA-N
XLogP3.07
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.07
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

1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111814689
1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111814690
1-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111089684
2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
CID 111465545
1-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111024356
2-(2,2-difluoroethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111757705
2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111814605
tert-butyl N-[4-[[amino-(3,4-dimethylanilino)methylidene]amino]butyl]carbamate;hydroiodide
CID 110027006
methyl 7-[[amino-(3,4-dimethylanilino)methylidene]amino]heptanoate;hydroiodide
CID 111040536
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111025971
1-(3,4-dimethylphenyl)-2-(2-ethylbutyl)guanidine
CID 111800614
1-(3,4-dimethylphenyl)-2-[2-methyl-2-(1,4,7-trioxaspiro[4.4]nonan-9-yl)propyl]guanidine
CID 122098833

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide (CID 111814657) is 1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide is COC(C)(C)C/N=C(\N)Nc1ccc(C)c(C)c1.I.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide?
The InChIKey is XBOAJBNBATWBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.HI/c1-10-6-7-12(8-11(10)2)17-13(15)16-9-14(3,4)18-5;/h6-8H,9H2,1-5H3,(H3,15,16,17);1H.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide?
1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111814657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).