3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

C20H35ClIN5O — CID 111323957

About 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide

3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 111323957) has the molecular formula C20H35ClIN5O and a molecular weight of 523.89 g/mol. Its IUPAC name is 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

• Compound Name: 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
• PubChem CID: 111323957
• Molecular Formula: C20H35ClIN5O
• Molecular Weight: 523.89 g/mol
• Exact Mass: 523.16
• IUPAC Name: 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
• SMILES: CCN/C(=N\CC(C)(C)C(N)=O)NCC(c1ccccc1Cl)N(CC)CC.I
• InChI: InChI=1S/C20H34ClN5O.HI/c1-6-23-19(25-14-20(4,5)18(22)27)24-13-17(26(7-2)8-3)15-11-9-10-12-16(15)21;/h9-12,17H,6-8,13-14H2,1-5H3,(H2,22,27)(H2,23,24,25);1H
• InChIKey: DDRBVUMZMTXTBD-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 82.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.89
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
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 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?

The IUPAC name of 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide (CID 111323957) is 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide.

What is the SMILES notation for 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?

The canonical SMILES for 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is CCN/C(=N\CC(C)(C)C(N)=O)NCC(c1ccccc1Cl)N(CC)CC.I.

What is the InChIKey of 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?

The InChIKey is DDRBVUMZMTXTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34ClN5O.HI/c1-6-23-19(25-14-20(4,5)18(22)27)24-13-17(26(7-2)8-3)15-11-9-10-12-16(15)21;/h9-12,17H,6-8,13-14H2,1-5H3,(H2,22,27)(H2,23,24,25);1H.

What are the key properties of 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide?

3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 523.89 g/mol, XLogP of 3.41, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 111323957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).