1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine

C20H28N4 — CID 111621510

IUPAC1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)c1ccc(C)cc1)NCCc1ccccn1
InChIInChI=1S/C20H28N4/c1-4-21-20(23-14-12-19-7-5-6-13-22-19)24-15-17(3)18-10-8-16(2)9-11-18/h5-11,13,17H,4,12,14-15H2,1-3H3,(H2,21,23,24)
InChIKeyQJUXSMNQYQIDKH-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.29
Rot. Bonds7

About 1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine

1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111621510) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111621510
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)c1ccc(C)cc1)NCCc1ccccn1
InChIInChI=1S/C20H28N4/c1-4-21-20(23-14-12-19-7-5-6-13-22-19)24-15-17(3)18-10-8-16(2)9-11-18/h5-11,13,17H,4,12,14-15H2,1-3H3,(H2,21,23,24)
InChIKeyQJUXSMNQYQIDKH-UHFFFAOYSA-N
XLogP3.29
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.29
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'}

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Related Compounds

2-[2-(3,4-difluorophenyl)propyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111500304
1-ethyl-2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191741
1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-3-ylethyl)guanidine
CID 111622618
2-(2-anilino-3-methylbutyl)-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193074
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192996
1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192995
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192733
1-ethyl-2-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111713844
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenylpropyl)guanidine
CID 111343229
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111343228
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193796

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine (CID 111621510) is 1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CC(C)c1ccc(C)cc1)NCCc1ccccn1.
What is the InChIKey of 1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is QJUXSMNQYQIDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-4-21-20(23-14-12-19-7-5-6-13-22-19)24-15-17(3)18-10-8-16(2)9-11-18/h5-11,13,17H,4,12,14-15H2,1-3H3,(H2,21,23,24).
What are the key properties of 1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 324.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111621510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).