1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine

C20H32N4O2 — CID 111273985

IUPAC1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine
SMILESCCC(CCN/C(=N\C)N(C)CCOc1ccccc1)N1CCCC1=O
InChIInChI=1S/C20H32N4O2/c1-4-17(24-14-8-11-19(24)25)12-13-22-20(21-2)23(3)15-16-26-18-9-6-5-7-10-18/h5-7,9-10,17H,4,8,11-16H2,1-3H3,(H,21,22)
InChIKeyUITKKGBMWXIPSF-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.36
Rot. Bonds9

About 1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine

1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine (PubChem CID 111273985) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine
PubChem CID111273985
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine
SMILESCCC(CCN/C(=N\C)N(C)CCOc1ccccc1)N1CCCC1=O
InChIInChI=1S/C20H32N4O2/c1-4-17(24-14-8-11-19(24)25)12-13-22-20(21-2)23(3)15-16-26-18-9-6-5-7-10-18/h5-7,9-10,17H,4,8,11-16H2,1-3H3,(H,21,22)
InChIKeyUITKKGBMWXIPSF-UHFFFAOYSA-N
XLogP2.36
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.36
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'}

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 111275289
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
CID 111282158
N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]-2-phenoxyacetamide
CID 52869830
1-[(3,4-dichlorophenyl)methyl]-1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
CID 111306314
1-benzyl-2-methyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 110954324
1,2-dimethyl-3-(2-methylsulfanylethyl)-1-(2-phenoxyethyl)guanidine
CID 111274449
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
CID 109383157
3-[4-(4-ethylpiperazin-1-yl)butyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111273744
1-[2-(4-chlorophenoxy)ethyl]-3-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1,2-dimethylguanidine
CID 111500863
N-[2-[[N,N'-dimethyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111273615
4-(2-hydroxyphenyl)-N'-methyl-N-[3-(2-oxopyrrolidin-1-yl)pentyl]piperazine-1-carboximidamide
CID 111184728
N-benzyl-3-[[N,N'-dimethyl-N-(2-phenoxyethyl)carbamimidoyl]amino]-N-methylpropanamide
CID 111273955

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine (CID 111273985) is 1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine is CCC(CCN/C(=N\C)N(C)CCOc1ccccc1)N1CCCC1=O.
What is the InChIKey of 1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine?
The InChIKey is UITKKGBMWXIPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-17(24-14-8-11-19(24)25)12-13-22-20(21-2)23(3)15-16-26-18-9-6-5-7-10-18/h5-7,9-10,17H,4,8,11-16H2,1-3H3,(H,21,22).
What are the key properties of 1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine?
1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine has a molecular weight of 360.50 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-1-(2-phenoxyethyl)guanidine is sourced from PubChem (CID 111273985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).