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

C18H24N4O2 — CID 110956996

IUPAC1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCN1C(=O)c2ccccc2C1=O)NC1CCCCC1
InChIInChI=1S/C18H24N4O2/c1-19-18(21-13-7-3-2-4-8-13)20-11-12-22-16(23)14-9-5-6-10-15(14)17(22)24/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,19,20,21)
InChIKeyOHSHCGGPOPTCPS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.78
Rot. Bonds4

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

1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine (PubChem CID 110956996) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine
PubChem CID110956996
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCN1C(=O)c2ccccc2C1=O)NC1CCCCC1
InChIInChI=1S/C18H24N4O2/c1-19-18(21-13-7-3-2-4-8-13)20-11-12-22-16(23)14-9-5-6-10-15(14)17(22)24/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,19,20,21)
InChIKeyOHSHCGGPOPTCPS-UHFFFAOYSA-N
XLogP1.78
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.78
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-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111829628
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915311
1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
CID 119119816
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470244
1-[2-(azepan-1-yl)ethyl]-3-cyclopentyl-2-methylguanidine
CID 110990169
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111362951
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144978
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856328
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967679
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
2-chloro-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide
CID 110958235

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine (CID 110956996) is 1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine is C/N=C(\NCCN1C(=O)c2ccccc2C1=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine?
The InChIKey is OHSHCGGPOPTCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-19-18(21-13-7-3-2-4-8-13)20-11-12-22-16(23)14-9-5-6-10-15(14)17(22)24/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine?
1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine has a molecular weight of 328.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 110956996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).