1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine

C19H26N4O2 — CID 109470244

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
SMILESCCC1(CN/C(=N\C)NCCN2C(=O)c3ccccc3C2=O)CCC1
InChIInChI=1S/C19H26N4O2/c1-3-19(9-6-10-19)13-22-18(20-2)21-11-12-23-16(24)14-7-4-5-8-15(14)17(23)25/h4-5,7-8H,3,6,9-13H2,1-2H3,(H2,20,21,22)
InChIKeyNUKYGRVOKFZMCC-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.03
Rot. Bonds6

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine (PubChem CID 109470244) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
PubChem CID109470244
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
SMILESCCC1(CN/C(=N\C)NCCN2C(=O)c3ccccc3C2=O)CCC1
InChIInChI=1S/C19H26N4O2/c1-3-19(9-6-10-19)13-22-18(20-2)21-11-12-23-16(24)14-7-4-5-8-15(14)17(23)25/h4-5,7-8H,3,6,9-13H2,1-2H3,(H2,20,21,22)
InChIKeyNUKYGRVOKFZMCC-UHFFFAOYSA-N
XLogP2.03
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856328
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
CID 109469736
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477065
1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine
CID 110956996
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111362951
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111394561
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111362950
1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050
1-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111827954
1-[2-(benzylsulfamoyl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109469350
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967679
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 109469308

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine (CID 109470244) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine is CCC1(CN/C(=N\C)NCCN2C(=O)c3ccccc3C2=O)CCC1.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
The InChIKey is NUKYGRVOKFZMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-19(9-6-10-19)13-22-18(20-2)21-11-12-23-16(24)14-7-4-5-8-15(14)17(23)25/h4-5,7-8H,3,6,9-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine has a molecular weight of 342.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine is sourced from PubChem (CID 109470244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).