2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride

C50H108BrClN8O3 — CID 157211032

About 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride

2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride (PubChem CID 157211032) has the molecular formula C50H108BrClN8O3 and a molecular weight of 984.82 g/mol. Its IUPAC name is 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride.

Molecular Properties

• Compound Name: 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride
• PubChem CID: 157211032
• Molecular Formula: C50H108BrClN8O3
• Molecular Weight: 984.82 g/mol
• Exact Mass: 982.74
• IUPAC Name: 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride
• SMILES: CC(C)C.CC(C)C(C)CN.CC1(C)CC(=O)CC(C)(C)N1.CC1(C)CC(C[NH3+])CC(C)(C)N1.CC1(C)CC(NC(=O)C[NH3+])CC(C)(C)N1.CN1C(C)(C)CC(=O)CC1(C)C.[Br-].[Cl-]
• InChI: InChI=1S/C11H23N3O.C10H22N2.C10H19NO.C9H17NO.C6H15N.C4H10.BrH.ClH/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14-10;1-9(2)5-8(7-11)6-10(3,4)12-9;1-9(2)6-8(12)7-10(3,4)11(9)5;1-8(2)5-7(11)6-9(3,4)10-8;1-5(2)6(3)4-7;1-4(2)3;;/h8,14H,5-7,12H2,1-4H3,(H,13,15);8,12H,5-7,11H2,1-4H3;6-7H2,1-5H3;10H,5-6H2,1-4H3;5-6H,4,7H2,1-3H3;4H,1-3H3;2*1H
• InChIKey: ZAEREYJQBRVPPP-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 183.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.82
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride?

The IUPAC name of 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride (CID 157211032) is 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride.

What is the SMILES notation for 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride?

The canonical SMILES for 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride is CC(C)C.CC(C)C(C)CN.CC1(C)CC(=O)CC(C)(C)N1.CC1(C)CC(C[NH3+])CC(C)(C)N1.CC1(C)CC(NC(=O)C[NH3+])CC(C)(C)N1.CN1C(C)(C)CC(=O)CC1(C)C.[Br-].[Cl-].

What is the InChIKey of 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride?

The InChIKey is ZAEREYJQBRVPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C10H22N2.C10H19NO.C9H17NO.C6H15N.C4H10.BrH.ClH/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14-10;1-9(2)5-8(7-11)6-10(3,4)12-9;1-9(2)6-8(12)7-10(3,4)11(9)5;1-8(2)5-7(11)6-9(3,4)10-8;1-5(2)6(3)4-7;1-4(2)3;;/h8,14H,5-7,12H2,1-4H3,(H,13,15);8,12H,5-7,11H2,1-4H3;6-7H2,1-5H3;10H,5-6H2,1-4H3;5-6H,4,7H2,1-3H3;4H,1-3H3;2*1H.

What are the key properties of 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride?

2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride has a molecular weight of 984.82 g/mol, XLogP of 0.68, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethylbutan-1-amine;2-methylpropane;[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]azanium;1,2,2,6,6-pentamethylpiperidin-4-one;2,2,6,6-tetramethylpiperidin-4-one;(2,2,6,6-tetramethylpiperidin-4-yl)methylazanium;bromide;chloride is sourced from PubChem (CID 157211032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).