1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine

C18H26N4OS — CID 111581462

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine
SMILESCCOc1ncccc1CN/C(=N/C)NCC(C)(C)c1cccs1
InChIInChI=1S/C18H26N4OS/c1-5-23-16-14(8-6-10-20-16)12-21-17(19-4)22-13-18(2,3)15-9-7-11-24-15/h6-11H,5,12-13H2,1-4H3,(H2,19,21,22)
InChIKeyNYNQITURKHYGGD-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.18
Rot. Bonds7

About 1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine

1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine (PubChem CID 111581462) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine
PubChem CID111581462
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine
SMILESCCOc1ncccc1CN/C(=N/C)NCC(C)(C)c1cccs1
InChIInChI=1S/C18H26N4OS/c1-5-23-16-14(8-6-10-20-16)12-21-17(19-4)22-13-18(2,3)15-9-7-11-24-15/h6-11H,5,12-13H2,1-4H3,(H2,19,21,22)
InChIKeyNYNQITURKHYGGD-UHFFFAOYSA-N
XLogP3.18
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111582582
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111581863
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111582393
1-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111581179
1-(cyclopropylmethyl)-3-[(2-ethoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111867441
1-(2-ethoxyethyl)-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111582132
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216677
N-tert-butyl-2-[[N-[(2-ethoxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 75421235
1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420892
1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111847917
2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111582377
1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000366

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine (CID 111581462) is 1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine is CCOc1ncccc1CN/C(=N/C)NCC(C)(C)c1cccs1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
The InChIKey is NYNQITURKHYGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-5-23-16-14(8-6-10-20-16)12-21-17(19-4)22-13-18(2,3)15-9-7-11-24-15/h6-11H,5,12-13H2,1-4H3,(H2,19,21,22).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine has a molecular weight of 346.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 111581462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).