1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine

C12H23N5O3 — CID 111828941

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
SMILESCCOCCCN/C(=N\C)NCCN1C(=O)CNC1=O
InChIInChI=1S/C12H23N5O3/c1-3-20-8-4-5-14-11(13-2)15-6-7-17-10(18)9-16-12(17)19/h3-9H2,1-2H3,(H,16,19)(H2,13,14,15)
InChIKeyLTPQXWGVWQKAQC-UHFFFAOYSA-N
MW285.35 g/mol
LogP-0.87
Rot. Bonds8

About 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine (PubChem CID 111828941) has the molecular formula C12H23N5O3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
PubChem CID111828941
Molecular FormulaC12H23N5O3
Molecular Weight285.35 g/mol
Exact Mass285.18
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
SMILESCCOCCCN/C(=N\C)NCCN1C(=O)CNC1=O
InChIInChI=1S/C12H23N5O3/c1-3-20-8-4-5-14-11(13-2)15-6-7-17-10(18)9-16-12(17)19/h3-9H2,1-2H3,(H,16,19)(H2,13,14,15)
InChIKeyLTPQXWGVWQKAQC-UHFFFAOYSA-N
XLogP-0.87
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine
CID 111827421
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 111829512
1-(4-ethoxybutyl)-3-(3-ethoxypropyl)-2-methylguanidine
CID 111222873
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxy-2,2-diethylcyclobutyl)-2-methylguanidine
CID 109390854
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 111826339
1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222736
1-butyl-3-(4-ethoxybutyl)-2-methylguanidine
CID 111151482
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111829030
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119148599
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111827798
N-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111223084
1-(3-ethoxypropyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111223353

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine (CID 111828941) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine is CCOCCCN/C(=N\C)NCCN1C(=O)CNC1=O.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine?
The InChIKey is LTPQXWGVWQKAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3/c1-3-20-8-4-5-14-11(13-2)15-6-7-17-10(18)9-16-12(17)19/h3-9H2,1-2H3,(H,16,19)(H2,13,14,15).
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine has a molecular weight of 285.35 g/mol, XLogP of -0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine is sourced from PubChem (CID 111828941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).