N~3~,N~3~,N~3~,N~17~,N~17~,N~17~-Hexamethylandrostane-3,17-bis(aminium) diiodide

C25H48I2N2 — CID 6192

About N~3~,N~3~,N~3~,N~17~,N~17~,N~17~-Hexamethylandrostane-3,17-bis(aminium) diiodide

N~3~,N~3~,N~3~,N~17~,N~17~,N~17~-Hexamethylandrostane-3,17-bis(aminium) diiodide (PubChem CID 6192) has the molecular formula C25H48I2N2 and a molecular weight of 630.50 g/mol. Its IUPAC name is [(3R,5S,8R,10S,13S,17R)-10,13-dimethyl-3-(trimethylazaniumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethylazanium diiodide.

Molecular Properties

• Compound Name: N~3~,N~3~,N~3~,N~17~,N~17~,N~17~-Hexamethylandrostane-3,17-bis(aminium) diiodide
• PubChem CID: 6192
• Molecular Formula: C25H48I2N2
• Molecular Weight: 630.50 g/mol
• Exact Mass: 630.19
• IUPAC Name: [(3R,5S,8R,10S,13S,17R)-10,13-dimethyl-3-(trimethylazaniumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-trimethylazanium diiodide
• SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2CC[C@]4(C3CC[C@H]4[N+](C)(C)C)C)[N+](C)(C)C.[I-].[I-]
• InChIKey: ZVIZSIIUKWNKPJ-VGFHXRMQSA-L
• XLogP: N/A
• TPSA: 0.00 Ų
• H-Bond Donors: 0
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: 570

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}