N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

C25H41IN4O3 — CID 111732706

About N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (PubChem CID 111732706) has the molecular formula C25H41IN4O3 and a molecular weight of 572.53 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
• PubChem CID: 111732706
• Molecular Formula: C25H41IN4O3
• Molecular Weight: 572.53 g/mol
• Exact Mass: 572.22
• IUPAC Name: N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CC(c1ccc(OC)c(OC)c1)N1CCOCC1)N1CCC2(CCCC2)C1.I
• InChI: InChI=1S/C25H40N4O3.HI/c1-4-26-24(29-12-11-25(19-29)9-5-6-10-25)27-18-21(28-13-15-32-16-14-28)20-7-8-22(30-2)23(17-20)31-3;/h7-8,17,21H,4-6,9-16,18-19H2,1-3H3,(H,26,27);1H
• InChIKey: NXNFGPDGOCJXLK-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 58.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.53
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?

The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (CID 111732706) is N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?

The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is CCN/C(=N\CC(c1ccc(OC)c(OC)c1)N1CCOCC1)N1CCC2(CCCC2)C1.I.

What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?

The InChIKey is NXNFGPDGOCJXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3.HI/c1-4-26-24(29-12-11-25(19-29)9-5-6-10-25)27-18-21(28-13-15-32-16-14-28)20-7-8-22(30-2)23(17-20)31-3;/h7-8,17,21H,4-6,9-16,18-19H2,1-3H3,(H,26,27);1H.

What are the key properties of N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?

N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide has a molecular weight of 572.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111732706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).