1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

C20H34IN5O — CID 111389814

IUPAC1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCCCN(CC)c1ccccc1.I
InChIInChI=1S/C20H33N5O.HI/c1-3-21-20(23-17-19(26)25-14-8-9-15-25)22-13-10-16-24(4-2)18-11-6-5-7-12-18;/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3,(H2,21,22,23);1H
InChIKeyFATSDWTWHGRIAG-UHFFFAOYSA-N
MW487.43 g/mol
LogP2.70
Rot. Bonds9

About 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 111389814) has the molecular formula C20H34IN5O and a molecular weight of 487.43 g/mol. Its IUPAC name is 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
PubChem CID111389814
Molecular FormulaC20H34IN5O
Molecular Weight487.43 g/mol
Exact Mass487.18
IUPAC Name1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCCCN(CC)c1ccccc1.I
InChIInChI=1S/C20H33N5O.HI/c1-3-21-20(23-17-19(26)25-14-8-9-15-25)22-13-10-16-24(4-2)18-11-6-5-7-12-18;/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3,(H2,21,22,23);1H
InChIKeyFATSDWTWHGRIAG-UHFFFAOYSA-N
XLogP2.70
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide 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-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929461
1-[2-[benzyl(methyl)amino]ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111930028
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-phenylpentyl)guanidine
CID 111929397
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentylguanidine;hydroiodide
CID 111128816
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929188
1-ethyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929110
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
CID 111390105
1-ethyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929111
N-[3-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111928752
2-[(1,1-dioxothiolan-3-yl)methyl]-1-ethyl-3-[3-(N-ethylanilino)propyl]guanidine;hydroiodide
CID 111390118
N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712509
1-[3-(2,6-dimethylphenoxy)propyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111928725

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (CID 111389814) is 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is CCN/C(=N\CC(=O)N1CCCC1)NCCCN(CC)c1ccccc1.I.
What is the InChIKey of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is FATSDWTWHGRIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O.HI/c1-3-21-20(23-17-19(26)25-14-8-9-15-25)22-13-10-16-24(4-2)18-11-6-5-7-12-18;/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 487.43 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111389814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).