1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

C16H30N6O3 — CID 111830305

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCN1C(=O)CNC1=O
InChIInChI=1S/C16H30N6O3/c1-4-17-14(18-5-6-22-13(23)11-19-15(22)24)20-12-16(2,3)21-7-9-25-10-8-21/h4-12H2,1-3H3,(H,19,24)(H2,17,18,20)
InChIKeyNDWWYCMQCIHFDH-UHFFFAOYSA-N
MW354.46 g/mol
LogP-0.80
Rot. Bonds7

About 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 111830305) has the molecular formula C16H30N6O3 and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID111830305
Molecular FormulaC16H30N6O3
Molecular Weight354.46 g/mol
Exact Mass354.24
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCN1C(=O)CNC1=O
InChIInChI=1S/C16H30N6O3/c1-4-17-14(18-5-6-22-13(23)11-19-15(22)24)20-12-16(2,3)21-7-9-25-10-8-21/h4-12H2,1-3H3,(H,19,24)(H2,17,18,20)
InChIKeyNDWWYCMQCIHFDH-UHFFFAOYSA-N
XLogP-0.80
TPSA98.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111826878
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111829030
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111314856
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111315865
2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111827930
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315275
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315759
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111315660
N-[2-[[N-ethyl-N'-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 111313718
4-chloro-N-[2-[[N-ethyl-N'-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111313263
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(5-piperidin-1-ylpentyl)guanidine
CID 111784230
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111692462

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 111830305) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)(C)N1CCOCC1)NCCN1C(=O)CNC1=O.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is NDWWYCMQCIHFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O3/c1-4-17-14(18-5-6-22-13(23)11-19-15(22)24)20-12-16(2,3)21-7-9-25-10-8-21/h4-12H2,1-3H3,(H,19,24)(H2,17,18,20).
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 354.46 g/mol, XLogP of -0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111830305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).