2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C23H35IN4O2 — CID 110041949

About 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110041949) has the molecular formula C23H35IN4O2 and a molecular weight of 526.46 g/mol. Its IUPAC name is 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
• PubChem CID: 110041949
• Molecular Formula: C23H35IN4O2
• Molecular Weight: 526.46 g/mol
• Exact Mass: 526.18
• IUPAC Name: 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
• SMILES: CN(C)C(=O)C/N=C(/NC1CCOc2ccccc21)N1CCC2(CCCCC2)C1.I
• InChI: InChI=1S/C23H34N4O2.HI/c1-26(2)21(28)16-24-22(27-14-13-23(17-27)11-6-3-7-12-23)25-19-10-15-29-20-9-5-4-8-18(19)20;/h4-5,8-9,19H,3,6-7,10-17H2,1-2H3,(H,24,25);1H
• InChIKey: LLOKNUBSJHWWBM-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 57.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.46
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

The IUPAC name of 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110041949) is 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

What is the SMILES notation for 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

The canonical SMILES for 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CN(C)C(=O)C/N=C(/NC1CCOc2ccccc21)N1CCC2(CCCCC2)C1.I.

What is the InChIKey of 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

The InChIKey is LLOKNUBSJHWWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2.HI/c1-26(2)21(28)16-24-22(27-14-13-23(17-27)11-6-3-7-12-23)25-19-10-15-29-20-9-5-4-8-18(19)20;/h4-5,8-9,19H,3,6-7,10-17H2,1-2H3,(H,24,25);1H.

What are the key properties of 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 526.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-azaspiro[4.5]decan-2-yl-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110041949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).