1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine

C12H23N5O2 — CID 111121564

IUPAC1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine
SMILESCCC1(C)NC(=O)N(CCCN/C(=N/C)NC)C1=O
InChIInChI=1S/C12H23N5O2/c1-5-12(2)9(18)17(11(19)16-12)8-6-7-15-10(13-3)14-4/h5-8H2,1-4H3,(H,16,19)(H2,13,14,15)
InChIKeyGOKAKMJMUMDKKS-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.11
Rot. Bonds5

About 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine

1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine (PubChem CID 111121564) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine
PubChem CID111121564
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine
SMILESCCC1(C)NC(=O)N(CCCN/C(=N/C)NC)C1=O
InChIInChI=1S/C12H23N5O2/c1-5-12(2)9(18)17(11(19)16-12)8-6-7-15-10(13-3)14-4/h5-8H2,1-4H3,(H,16,19)(H2,13,14,15)
InChIKeyGOKAKMJMUMDKKS-UHFFFAOYSA-N
XLogP-0.11
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-(Diethylamino)ethyl)-5-ethyl-5-methylhydantoin
CID 3028667
N-ethyl-N'-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376780
N-ethyl-N'-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376781
N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379215
N-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379216
1-[3-(4-Ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 112011512
1-[3-(4-Ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 112011513
1-Ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 112011548
1-Ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 112011549
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-fluoroethyl)acetamide
CID 121578612
2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoroethyl)acetamide
CID 124890607
2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoroethyl)acetamide
CID 124890608

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine (CID 111121564) is 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine is CCC1(C)NC(=O)N(CCCN/C(=N/C)NC)C1=O.
What is the InChIKey of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine?
The InChIKey is GOKAKMJMUMDKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-12(2)9(18)17(11(19)16-12)8-6-7-15-10(13-3)14-4/h5-8H2,1-4H3,(H,16,19)(H2,13,14,15).
What are the key properties of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine?
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine has a molecular weight of 269.35 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2,3-dimethylguanidine is sourced from PubChem (CID 111121564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).