2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine

C10H19N5O2 — CID 111812527

IUPAC2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
SMILESCCCC/N=C(\N)NCCN1C(=O)CNC1=O
InChIInChI=1S/C10H19N5O2/c1-2-3-4-12-9(11)13-5-6-15-8(16)7-14-10(15)17/h2-7H2,1H3,(H,14,17)(H3,11,12,13)
InChIKeyNJTAPAJMFFJKTE-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.76
Rot. Bonds6

About 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine

2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine (PubChem CID 111812527) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
PubChem CID111812527
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
SMILESCCCC/N=C(\N)NCCN1C(=O)CNC1=O
InChIInChI=1S/C10H19N5O2/c1-2-3-4-12-9(11)13-5-6-15-8(16)7-14-10(15)17/h2-7H2,1H3,(H,14,17)(H3,11,12,13)
InChIKeyNJTAPAJMFFJKTE-UHFFFAOYSA-N
XLogP-0.76
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.76
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

2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111827930
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(2-phenylethyl)guanidine
CID 111812529
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111829030
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111812474
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 111826339
1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide
CID 111812452
1,2-dibutylguanidine;phosphoric acid
CID 166600390
1-butyl-2-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111030605
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine
CID 111827421
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 110719069
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide
CID 110719155
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111830782

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine?
The IUPAC name of 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine (CID 111812527) is 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine?
The canonical SMILES for 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine is CCCC/N=C(\N)NCCN1C(=O)CNC1=O.
What is the InChIKey of 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine?
The InChIKey is NJTAPAJMFFJKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-2-3-4-12-9(11)13-5-6-15-8(16)7-14-10(15)17/h2-7H2,1H3,(H,14,17)(H3,11,12,13).
What are the key properties of 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine?
2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine has a molecular weight of 241.29 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 111812527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).