hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide

C61H65N14O10- — CID 157068190

About hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide

hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide (PubChem CID 157068190) has the molecular formula C61H65N14O10- and a molecular weight of 1154.28 g/mol. Its IUPAC name is hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide.

Molecular Properties

• Compound Name: hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide
• PubChem CID: 157068190
• Molecular Formula: C61H65N14O10-
• Molecular Weight: 1154.28 g/mol
• Exact Mass: 1153.50
• IUPAC Name: hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide
• SMILES: C.C.C.Cc1ccc(N)c2ccncc12.Cc1ccc(N)c2ccncc12.Cc1ccc([N+](=O)[O-])c2ccncc12.Cc1ccc([N+](=O)[O-])c2ccncc12.NO.Nc1ccc([N+](=O)[O-])c2ccncc12.O=[N+]([O-])c1cccc2cnccc12.[OH-]
• InChI: InChI=1S/2C10H8N2O2.2C10H10N2.C9H7N3O2.C9H6N2O2.3CH4.H3NO.H2O/c2*1-7-2-3-10(12(13)14)8-4-5-11-6-9(7)8;2*1-7-2-3-10(11)8-4-5-12-6-9(7)8;10-8-1-2-9(12(13)14)6-3-4-11-5-7(6)8;12-11(13)9-3-1-2-7-6-10-5-4-8(7)9;;;;1-2;/h2*2-6H,1H3;2*2-6H,11H2,1H3;1-5H,10H2;1-6H;3*1H4;2H,1H2;1H2/p-1
• InChIKey: OSWOXOPUQHXPNV-UHFFFAOYSA-M
• XLogP: 14.09
• TPSA: 404.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 4
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1154.28
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide?

The IUPAC name of hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide (CID 157068190) is hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide.

What is the SMILES notation for hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide?

The canonical SMILES for hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide is C.C.C.Cc1ccc(N)c2ccncc12.Cc1ccc(N)c2ccncc12.Cc1ccc([N+](=O)[O-])c2ccncc12.Cc1ccc([N+](=O)[O-])c2ccncc12.NO.Nc1ccc([N+](=O)[O-])c2ccncc12.O=[N+]([O-])c1cccc2cnccc12.[OH-].

What is the InChIKey of hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide?

The InChIKey is OSWOXOPUQHXPNV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H8N2O2.2C10H10N2.C9H7N3O2.C9H6N2O2.3CH4.H3NO.H2O/c2*1-7-2-3-10(12(13)14)8-4-5-11-6-9(7)8;2*1-7-2-3-10(11)8-4-5-12-6-9(7)8;10-8-1-2-9(12(13)14)6-3-4-11-5-7(6)8;12-11(13)9-3-1-2-7-6-10-5-4-8(7)9;;;;1-2;/h2*2-6H,1H3;2*2-6H,11H2,1H3;1-5H,10H2;1-6H;3*1H4;2H,1H2;1H2/p-1.

What are the key properties of hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide?

hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide has a molecular weight of 1154.28 g/mol, XLogP of 14.09, 4 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for hydroxylamine;methane;bis(8-methylisoquinolin-5-amine);bis(8-methyl-5-nitroisoquinoline);5-nitroisoquinolin-8-amine;5-nitroisoquinoline;hydroxide is sourced from PubChem (CID 157068190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).