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

C15H29N5O2 — CID 111827421

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine
SMILESCCCCC(CC)CN/C(=N\C)NCCN1C(=O)CNC1=O
InChIInChI=1S/C15H29N5O2/c1-4-6-7-12(5-2)10-18-14(16-3)17-8-9-20-13(21)11-19-15(20)22/h12H,4-11H2,1-3H3,(H,19,22)(H2,16,17,18)
InChIKeySXUXVHAHSJIARP-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.92
Rot. Bonds9

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

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine (PubChem CID 111827421) has the molecular formula C15H29N5O2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine
PubChem CID111827421
Molecular FormulaC15H29N5O2
Molecular Weight311.43 g/mol
Exact Mass311.23
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine
SMILESCCCCC(CC)CN/C(=N\C)NCCN1C(=O)CNC1=O
InChIInChI=1S/C15H29N5O2/c1-4-6-7-12(5-2)10-18-14(16-3)17-8-9-20-13(21)11-19-15(20)22/h12H,4-11H2,1-3H3,(H,19,22)(H2,16,17,18)
InChIKeySXUXVHAHSJIARP-UHFFFAOYSA-N
XLogP0.92
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-ethoxypropyl)-2-methylguanidine
CID 111828941
1-(2-ethylhexyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111127752
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 111829512
1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111123536
2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111827930
1-(2-ethylhexyl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 111128109
1-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111830519
1-(2-ethylhexyl)-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111760595
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2,3-diphenylpropyl)-2-methylguanidine;hydroiodide
CID 109389807
1-(2-ethylhexyl)-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111128115
1-butyl-3-(2-ethylbutyl)-2-methylguanidine;hydroiodide
CID 111778360
1-(2-ethylhexyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111127810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine (CID 111827421) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine is CCCCC(CC)CN/C(=N\C)NCCN1C(=O)CNC1=O.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine?
The InChIKey is SXUXVHAHSJIARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O2/c1-4-6-7-12(5-2)10-18-14(16-3)17-8-9-20-13(21)11-19-15(20)22/h12H,4-11H2,1-3H3,(H,19,22)(H2,16,17,18).
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine has a molecular weight of 311.43 g/mol, XLogP of 0.92, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine is sourced from PubChem (CID 111827421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).