1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide

C17H27IN4O — CID 110017679

IUPAC1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
SMILESCCNC(=NCC1CC(=O)N(C)C1c1ccccc1)NCC.I
InChIInChI=1S/C17H26N4O.HI/c1-4-18-17(19-5-2)20-12-14-11-15(22)21(3)16(14)13-9-7-6-8-10-13;/h6-10,14,16H,4-5,11-12H2,1-3H3,(H2,18,19,20);1H
InChIKeyFOUOSDZZORRRQD-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.40
Rot. Bonds5

About 1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide

1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide (PubChem CID 110017679) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
PubChem CID110017679
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
SMILESCCNC(=NCC1CC(=O)N(C)C1c1ccccc1)NCC.I
InChIInChI=1S/C17H26N4O.HI/c1-4-18-17(19-5-2)20-12-14-11-15(22)21(3)16(14)13-9-7-6-8-10-13;/h6-10,14,16H,4-5,11-12H2,1-3H3,(H2,18,19,20);1H
InChIKeyFOUOSDZZORRRQD-UHFFFAOYSA-N
XLogP2.40
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.40
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035158
2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine
CID 110018170
2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine
CID 120662626
1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
CID 110051016
N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide
CID 110035637
2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110036609
3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110018098
1-[2-(furan-2-yl)ethyl]-3-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110051019
1-ethyl-3-[3-(2-oxoazepan-1-yl)propyl]-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111558551
N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110033680
2-[[(2-methoxyethylamino)-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036139
N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110036140

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide (CID 110017679) is 1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide is CCNC(=NCC1CC(=O)N(C)C1c1ccccc1)NCC.I.
What is the InChIKey of 1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is FOUOSDZZORRRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-4-18-17(19-5-2)20-12-14-11-15(22)21(3)16(14)13-9-7-6-8-10-13;/h6-10,14,16H,4-5,11-12H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide?
1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110017679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).