3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide

C17H30N4O — CID 119154284

IUPAC3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCC1CCOCC1)N1CCC(N2CC=CC2)C1
InChIInChI=1S/C17H30N4O/c1-18-17(19-8-4-15-6-12-22-13-7-15)21-11-5-16(14-21)20-9-2-3-10-20/h2-3,15-16H,4-14H2,1H3,(H,18,19)
InChIKeyLOXXXVBXLKEAPG-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.32
Rot. Bonds4

About 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide

3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 119154284) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide
PubChem CID119154284
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCC1CCOCC1)N1CCC(N2CC=CC2)C1
InChIInChI=1S/C17H30N4O/c1-18-17(19-8-4-15-6-12-22-13-7-15)21-11-5-16(14-21)20-9-2-3-10-20/h2-3,15-16H,4-14H2,1H3,(H,18,19)
InChIKeyLOXXXVBXLKEAPG-UHFFFAOYSA-N
XLogP1.32
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide 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

N-[2-[[C-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111998188
2,2-dimethyl-N-[2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111726284
N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726567
N'-methyl-3-morpholin-4-yl-N-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142608
N'-methyl-N-(4-methylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726361
3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119152825
N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 119142787
N-(3-methoxypropyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726310
3-(2,5-dihydropyrrol-1-yl)-N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119160787
N-(cyclooctylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728150
N'-methyl-N-[2-(3-methylphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726240
N-[2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726239

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide (CID 119154284) is 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide is C/N=C(/NCCC1CCOCC1)N1CCC(N2CC=CC2)C1.
What is the InChIKey of 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is LOXXXVBXLKEAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-18-17(19-8-4-15-6-12-22-13-7-15)21-11-5-16(14-21)20-9-2-3-10-20/h2-3,15-16H,4-14H2,1H3,(H,18,19).
What are the key properties of 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide?
3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 306.45 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119154284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).