N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide

C22H36N4O2 — CID 111732689

IUPACN-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)N1CCC2(CCCC2)C1
InChIInChI=1S/C22H36N4O2/c1-3-23-21(26-11-10-22(17-26)8-4-5-9-22)24-16-19(20-7-6-18(2)28-20)25-12-14-27-15-13-25/h6-7,19H,3-5,8-17H2,1-2H3,(H,23,24)
InChIKeyBUSTXHRFOXLLBN-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.19
Rot. Bonds5

About N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide

N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111732689) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111732689
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC NameN-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)N1CCC2(CCCC2)C1
InChIInChI=1S/C22H36N4O2/c1-3-23-21(26-11-10-22(17-26)8-4-5-9-22)24-16-19(20-7-6-18(2)28-20)25-12-14-27-15-13-25/h6-7,19H,3-5,8-17H2,1-2H3,(H,23,24)
InChIKeyBUSTXHRFOXLLBN-UHFFFAOYSA-N
XLogP3.19
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738535
N-ethyl-4-methyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111210800
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732706
N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733329
1-cyclohexyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110959034
1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110927951
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111261490
N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide
CID 110956160
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732934
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972438
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111693716
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111362507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111732689) is N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide is CCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)N1CCC2(CCCC2)C1.
What is the InChIKey of N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is BUSTXHRFOXLLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-3-23-21(26-11-10-22(17-26)8-4-5-9-22)24-16-19(20-7-6-18(2)28-20)25-12-14-27-15-13-25/h6-7,19H,3-5,8-17H2,1-2H3,(H,23,24).
What are the key properties of N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 388.56 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111732689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).