(Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium

C14H20N8O8 — CID 25179132

About (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium

(Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium (PubChem CID 25179132) has the molecular formula C14H20N8O8 and a molecular weight of 428.36 g/mol. Its IUPAC name is (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium.

Molecular Properties

• Compound Name: (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium
• PubChem CID: 25179132
• Molecular Formula: C14H20N8O8
• Molecular Weight: 428.36 g/mol
• Exact Mass: 428.14
• IUPAC Name: (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium
• SMILES: CC1CCCCN1/[N+]([O-])=N/Oc1cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]
• InChI: InChI=1S/C14H20N8O8/c1-10-6-4-5-7-18(10)22(28)16-30-14-9-13(29-15-21(27)17(2)3)11(19(23)24)8-12(14)20(25)26/h8-10H,4-7H2,1-3H3/b21-15-,22-16-
• InChIKey: RWSBXKAJKCFZQL-BMJUYKDLSA-N
• XLogP: 2.28
• TPSA: 188.08 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.36
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium?

The IUPAC name of (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium (CID 25179132) is (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium.

What is the SMILES notation for (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium?

The canonical SMILES for (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium is CC1CCCCN1/[N+]([O-])=N/Oc1cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-].

What is the InChIKey of (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium?

The InChIKey is RWSBXKAJKCFZQL-BMJUYKDLSA-N. The full InChI is InChI=1S/C14H20N8O8/c1-10-6-4-5-7-18(10)22(28)16-30-14-9-13(29-15-21(27)17(2)3)11(19(23)24)8-12(14)20(25)26/h8-10H,4-7H2,1-3H3/b21-15-,22-16-.

What are the key properties of (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium?

(Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium has a molecular weight of 428.36 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-dimethylamino-[5-[(Z)-[(2-methylpiperidin-1-yl)-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium is sourced from PubChem (CID 25179132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).