1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine

C18H36N4O — CID 110992479

IUPAC1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(C)(C)N1CC(C)OC(C)C1)NC1CCCC1
InChIInChI=1S/C18H36N4O/c1-6-19-17(21-16-9-7-8-10-16)20-13-18(4,5)22-11-14(2)23-15(3)12-22/h14-16H,6-13H2,1-5H3,(H2,19,20,21)
InChIKeyHOOLCPAHPJHSEY-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.37
Rot. Bonds5

About 1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine

1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine (PubChem CID 110992479) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine
PubChem CID110992479
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(C)(C)N1CC(C)OC(C)C1)NC1CCCC1
InChIInChI=1S/C18H36N4O/c1-6-19-17(21-16-9-7-8-10-16)20-13-18(4,5)22-11-14(2)23-15(3)12-22/h14-16H,6-13H2,1-5H3,(H2,19,20,21)
InChIKeyHOOLCPAHPJHSEY-UHFFFAOYSA-N
XLogP2.37
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.37
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'}

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Related Compounds

1-cyclobutyl-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 119146336
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138986
1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 110988858
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111180154
1-cyclohexyl-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 110959104
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111895638
1-[2-(2-butoxyethoxy)ethyl]-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine
CID 111693892
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111354354
1-cyclopentyl-2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-ethylguanidine
CID 110990679
1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine
CID 110958151
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine;hydroiodide
CID 111663834
1-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylguanidine;hydroiodide
CID 110989368

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine (CID 110992479) is 1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine is CCN/C(=N\CC(C)(C)N1CC(C)OC(C)C1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine?
The InChIKey is HOOLCPAHPJHSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-6-19-17(21-16-9-7-8-10-16)20-13-18(4,5)22-11-14(2)23-15(3)12-22/h14-16H,6-13H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine?
1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine has a molecular weight of 324.51 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine is sourced from PubChem (CID 110992479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).