1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide

C15H26IN3 — CID 111465793

IUPAC1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide
SMILESCCC(CC)(CN/C(=N/C)NC)c1ccccc1.I
InChIInChI=1S/C15H25N3.HI/c1-5-15(6-2,12-18-14(16-3)17-4)13-10-8-7-9-11-13;/h7-11H,5-6,12H2,1-4H3,(H2,16,17,18);1H
InChIKeyXUKDPUMDDJGKCT-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.16
Rot. Bonds5

About 1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide

1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide (PubChem CID 111465793) has the molecular formula C15H26IN3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide
PubChem CID111465793
Molecular FormulaC15H26IN3
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide
SMILESCCC(CC)(CN/C(=N/C)NC)c1ccccc1.I
InChIInChI=1S/C15H25N3.HI/c1-5-15(6-2,12-18-14(16-3)17-4)13-10-8-7-9-11-13;/h7-11H,5-6,12H2,1-4H3,(H2,16,17,18);1H
InChIKeyXUKDPUMDDJGKCT-UHFFFAOYSA-N
XLogP3.16
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.16
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-ethylbutyl]-2,3-dimethylguanidine;hydroiodide
CID 110928094
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
1-(2,2-difluoro-2-phenylethyl)-2,3-dimethylguanidine
CID 167745064
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
N-[2-[[N-(2-ethyl-2-phenylbutyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111694422
1-(2-ethyl-2-phenylbutyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
CID 111694591
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(2-ethyl-2-phenylbutyl)-2-methylguanidine;hydroiodide
CID 111694255
1-(2-ethyl-2-phenylbutyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111694513
1-(2-ethyl-2-phenylbutyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111694424
1-(2-ethyl-2-phenylbutyl)-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111694425

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide (CID 111465793) is 1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide is CCC(CC)(CN/C(=N/C)NC)c1ccccc1.I.
What is the InChIKey of 1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide?
The InChIKey is XUKDPUMDDJGKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.HI/c1-5-15(6-2,12-18-14(16-3)17-4)13-10-8-7-9-11-13;/h7-11H,5-6,12H2,1-4H3,(H2,16,17,18);1H.
What are the key properties of 1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide?
1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide has a molecular weight of 375.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 111465793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).