1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine

C19H26N4S — CID 111909833

IUPAC1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccs1)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C19H26N4S/c1-2-20-19(21-12-10-18-9-6-14-24-18)22-16-11-13-23(15-16)17-7-4-3-5-8-17/h3-9,14,16H,2,10-13,15H2,1H3,(H2,20,21,22)
InChIKeyJZNNEUHHCSOOEX-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.12
Rot. Bonds6

About 1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine

1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111909833) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine
PubChem CID111909833
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccs1)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C19H26N4S/c1-2-20-19(21-12-10-18-9-6-14-24-18)22-16-11-13-23(15-16)17-7-4-3-5-8-17/h3-9,14,16H,2,10-13,15H2,1H3,(H2,20,21,22)
InChIKeyJZNNEUHHCSOOEX-UHFFFAOYSA-N
XLogP3.12
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-phenylpyrrolidin-3-yl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111910283
1-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111923880
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111919328
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910128
1-ethyl-2-(2-methoxyethyl)-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910668
1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910347
2-benzyl-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111908886
N-[2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]ethyl]acetamide
CID 111909163
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine
CID 109458466
1-[2-(furan-2-yl)ethyl]-3-(1-phenylpiperidin-4-yl)-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110055171
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910661
1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 109405301

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine (CID 111909833) is 1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine is CCN/C(=N\CCc1cccs1)NC1CCN(c2ccccc2)C1.
What is the InChIKey of 1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is JZNNEUHHCSOOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-2-20-19(21-12-10-18-9-6-14-24-18)22-16-11-13-23(15-16)17-7-4-3-5-8-17/h3-9,14,16H,2,10-13,15H2,1H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine?
1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 342.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111909833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).