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

C10H17N5O2 — CID 111123536

IUPAC1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCN1C(=O)CNC1=O)NC1CC1
InChIInChI=1S/C10H17N5O2/c1-11-9(14-7-2-3-7)12-4-5-15-8(16)6-13-10(15)17/h7H,2-6H2,1H3,(H,13,17)(H2,11,12,14)
InChIKeyDXFVMIYHVIKRNJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.13
Rot. Bonds4

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

1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine (PubChem CID 111123536) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
PubChem CID111123536
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCN1C(=O)CNC1=O)NC1CC1
InChIInChI=1S/C10H17N5O2/c1-11-9(14-7-2-3-7)12-4-5-15-8(16)6-13-10(15)17/h7H,2-6H2,1H3,(H,13,17)(H2,11,12,14)
InChIKeyDXFVMIYHVIKRNJ-UHFFFAOYSA-N
XLogP-1.13
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.13
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-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine
CID 111826650
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 111829512
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]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111827798
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111828318
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]-3-ethyl-2-propylguanidine;hydroiodide
CID 111829030
1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine
CID 110956996
3-[2-[(3-methylcyclopentyl)amino]ethyl]imidazolidine-2,4-dione
CID 115653884
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111831627
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 110719069

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine (CID 111123536) is 1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine is C/N=C(/NCCN1C(=O)CNC1=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine?
The InChIKey is DXFVMIYHVIKRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-11-9(14-7-2-3-7)12-4-5-15-8(16)6-13-10(15)17/h7H,2-6H2,1H3,(H,13,17)(H2,11,12,14).
What are the key properties of 1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine?
1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine has a molecular weight of 239.28 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111123536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).