1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine

C14H23N3 — CID 111648670

IUPAC1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)NCCc1cc(C)cc(C)c1
InChIInChI=1S/C14H23N3/c1-5-16-14(15-4)17-7-6-13-9-11(2)8-12(3)10-13/h8-10H,5-7H2,1-4H3,(H2,15,16,17)
InChIKeyFQQGDRGOMABZLK-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.03
Rot. Bonds4

About 1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine

1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine (PubChem CID 111648670) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine
PubChem CID111648670
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)NCCc1cc(C)cc(C)c1
InChIInChI=1S/C14H23N3/c1-5-16-14(15-4)17-7-6-13-9-11(2)8-12(3)10-13/h8-10H,5-7H2,1-4H3,(H2,15,16,17)
InChIKeyFQQGDRGOMABZLK-UHFFFAOYSA-N
XLogP2.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.03
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'}

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Related Compounds

1-[3-(dimethylamino)propyl]-3-[2-(3,5-dimethylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111649259
1-[2-(3,5-dimethylphenyl)ethyl]-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine
CID 111649066
1-[2-(3,5-dimethylphenyl)ethyl]-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 111648666
1-[4-(diethylamino)butyl]-3-[2-(3,5-dimethylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111648983
3-[[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide
CID 111648790
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-(2-ethylsulfonylethyl)guanidine
CID 111649682
2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-propylacetamide
CID 111648720
3-[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111649079
1-[2-(3,5-dimethylphenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111649605
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111983648
N-tert-butyl-2-[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111649380
4-[[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-diethylbenzamide
CID 111649548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine (CID 111648670) is 1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine is CCN/C(=N\C)NCCc1cc(C)cc(C)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine?
The InChIKey is FQQGDRGOMABZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-16-14(15-4)17-7-6-13-9-11(2)8-12(3)10-13/h8-10H,5-7H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine?
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine has a molecular weight of 233.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine is sourced from PubChem (CID 111648670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).