1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine

C20H28N4 — CID 111194704

IUPAC1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1ccc(C)cc1C
InChIInChI=1S/C20H28N4/c1-4-21-20(24-14-11-19-7-5-6-12-22-19)23-13-10-18-9-8-16(2)15-17(18)3/h5-9,12,15H,4,10-11,13-14H2,1-3H3,(H2,21,23,24)
InChIKeyBWJGSUHTCPAXSV-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.04
Rot. Bonds7

About 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine

1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111194704) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID111194704
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1ccc(C)cc1C
InChIInChI=1S/C20H28N4/c1-4-21-20(24-14-11-19-7-5-6-12-22-19)23-13-10-18-9-8-16(2)15-17(18)3/h5-9,12,15H,4,10-11,13-14H2,1-3H3,(H2,21,23,24)
InChIKeyBWJGSUHTCPAXSV-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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

1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111782038
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967811
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111191360
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111905543
1-ethyl-2-(2-pyridin-2-ylethyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111191035
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111835823
1-ethyl-3-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194211
2-[[N'-[(2,4-dimethylphenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111938370

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine (CID 111194704) is 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCc1ccccn1)NCCc1ccc(C)cc1C.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is BWJGSUHTCPAXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-4-21-20(24-14-11-19-7-5-6-12-22-19)23-13-10-18-9-8-16(2)15-17(18)3/h5-9,12,15H,4,10-11,13-14H2,1-3H3,(H2,21,23,24).
What are the key properties of 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 324.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111194704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).