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

C11H21N5O2 — CID 111121568

IUPAC1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine
SMILESCCC1(C)NC(=O)N(CCCN/C(N)=N/C)C1=O
InChIInChI=1S/C11H21N5O2/c1-4-11(2)8(17)16(10(18)15-11)7-5-6-14-9(12)13-3/h4-7H2,1-3H3,(H,15,18)(H3,12,13,14)
InChIKeyHMVBWQRRKPZZCI-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.37
Rot. Bonds5

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

1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine (PubChem CID 111121568) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine
PubChem CID111121568
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine
SMILESCCC1(C)NC(=O)N(CCCN/C(N)=N/C)C1=O
InChIInChI=1S/C11H21N5O2/c1-4-11(2)8(17)16(10(18)15-11)7-5-6-14-9(12)13-3/h4-7H2,1-3H3,(H,15,18)(H3,12,13,14)
InChIKeyHMVBWQRRKPZZCI-UHFFFAOYSA-N
XLogP-0.37
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.37
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-methylguanidine?
The IUPAC name of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine (CID 111121568) is 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine.
What is the SMILES notation for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine?
The canonical SMILES for 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine is CCC1(C)NC(=O)N(CCCN/C(N)=N/C)C1=O.
What is the InChIKey of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine?
The InChIKey is HMVBWQRRKPZZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-11(2)8(17)16(10(18)15-11)7-5-6-14-9(12)13-3/h4-7H2,1-3H3,(H,15,18)(H3,12,13,14).
What are the key properties of 1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine?
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methylguanidine has a molecular weight of 255.32 g/mol, XLogP of -0.37, 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-methylguanidine is sourced from PubChem (CID 111121568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).