3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine

C11H19N3S — CID 111350272

IUPAC3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N/CCc1cccs1)N(C)C
InChIInChI=1S/C11H19N3S/c1-4-12-11(14(2)3)13-8-7-10-6-5-9-15-10/h5-6,9H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyYROASHFHTVFQSG-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.82
Rot. Bonds4

About 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine

3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111350272) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine
PubChem CID111350272
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N/CCc1cccs1)N(C)C
InChIInChI=1S/C11H19N3S/c1-4-12-11(14(2)3)13-8-7-10-6-5-9-15-10/h5-6,9H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyYROASHFHTVFQSG-UHFFFAOYSA-N
XLogP1.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-ethyl-1-methyl-2-(2-thiophen-2-ylethyl)guanidine
CID 111159672
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 109423172
1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350617
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-2-(2-thiophen-2-ylethyl)guanidine
CID 111241383
N-[2-[[N-ethyl-N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111349875
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349083
1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110914274
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine
CID 110999469
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine
CID 109392454
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111527898
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 109392453

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine (CID 111350272) is 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine is CCN/C(=N/CCc1cccs1)N(C)C.
What is the InChIKey of 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is YROASHFHTVFQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-12-11(14(2)3)13-8-7-10-6-5-9-15-10/h5-6,9H,4,7-8H2,1-3H3,(H,12,13).
What are the key properties of 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine?
3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 225.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111350272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).