dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide

C112H212N16O8+8 — CID 158955994

About dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide

dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide (PubChem CID 158955994) has the molecular formula C112H212N16O8+8 and a molecular weight of 1911.03 g/mol. Its IUPAC name is dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide.

Molecular Properties

• Compound Name: dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide
• PubChem CID: 158955994
• Molecular Formula: C112H212N16O8+8
• Molecular Weight: 1911.03 g/mol
• Exact Mass: 1909.66
• IUPAC Name: dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide
• SMILES: CC(C)C(=O)N1CC2CC1C[N+]2(C)C(C)C.CC(C)C(=O)N1CC2C[N+](C)(C(C)C)CC2C1.CC(C)C(=O)N1CCC([N+](C)(C)C(C)C)CC1.CC(C)C(=O)N1CCCc2c1ccc[n+]2C(C)C.CC(C)C(=O)N1CC[N+]2(C(C)C)CCC1C2.CC(C)C(=O)N1CC[N+]2(C(C)C)CCC1CC2.CC(C)C(=O)N1CC[N+]2(C(C)C)CCCC2C1.CC(C)C(=O)NCC12CCC[N+]1(C(C)C)CCC2
• InChI: InChI=1S/C15H23N2O.C15H28N2O.3C14H27N2O.C14H29N2O.2C13H25N2O/c1-11(2)15(18)17-10-6-7-13-14(17)8-5-9-16(13)12(3)4;1-12(2)14(18)16-11-15-7-5-9-17(15,13(3)4)10-6-8-15;1-10(2)14(17)15-6-12-8-16(5,11(3)4)9-13(12)7-15;1-11(2)14(17)15-7-10-16(12(3)4)8-5-13(15)6-9-16;1-11(2)14(17)15-7-9-16(12(3)4)8-5-6-13(16)10-15;1-11(2)14(17)15-9-7-13(8-10-15)16(5,6)12(3)4;1-9(2)13(16)14-7-12-6-11(14)8-15(12,5)10(3)4;1-10(2)13(16)14-6-8-15(11(3)4)7-5-12(14)9-15/h5,8-9,11-12H,6-7,10H2,1-4H3;12-13H,5-11H2,1-4H3;10-13H,6-9H2,1-5H3;2*11-13H,5-10H2,1-4H3;11-13H,7-10H2,1-6H3;9-12H,6-8H2,1-5H3;10-12H,5-9H2,1-4H3/q+1;;6*+1/p+1
• InChIKey: JLZYORQIVOUVST-UHFFFAOYSA-O
• XLogP: 15.21
• TPSA: 175.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1911.03
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide?

The IUPAC name of dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide (CID 158955994) is dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide.

What is the SMILES notation for dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide?

The canonical SMILES for dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide is CC(C)C(=O)N1CC2CC1C[N+]2(C)C(C)C.CC(C)C(=O)N1CC2C[N+](C)(C(C)C)CC2C1.CC(C)C(=O)N1CCC([N+](C)(C)C(C)C)CC1.CC(C)C(=O)N1CCCc2c1ccc[n+]2C(C)C.CC(C)C(=O)N1CC[N+]2(C(C)C)CCC1C2.CC(C)C(=O)N1CC[N+]2(C(C)C)CCC1CC2.CC(C)C(=O)N1CC[N+]2(C(C)C)CCCC2C1.CC(C)C(=O)NCC12CCC[N+]1(C(C)C)CCC2.

What is the InChIKey of dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide?

The InChIKey is JLZYORQIVOUVST-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N2O.C15H28N2O.3C14H27N2O.C14H29N2O.2C13H25N2O/c1-11(2)15(18)17-10-6-7-13-14(17)8-5-9-16(13)12(3)4;1-12(2)14(18)16-11-15-7-5-9-17(15,13(3)4)10-6-8-15;1-10(2)14(17)15-6-12-8-16(5,11(3)4)9-13(12)7-15;1-11(2)14(17)15-7-10-16(12(3)4)8-5-13(15)6-9-16;1-11(2)14(17)15-7-9-16(12(3)4)8-5-6-13(16)10-15;1-11(2)14(17)15-9-7-13(8-10-15)16(5,6)12(3)4;1-9(2)13(16)14-7-12-6-11(14)8-15(12,5)10(3)4;1-10(2)13(16)14-6-8-15(11(3)4)7-5-12(14)9-15/h5,8-9,11-12H,6-7,10H2,1-4H3;12-13H,5-11H2,1-4H3;10-13H,6-9H2,1-5H3;2*11-13H,5-10H2,1-4H3;11-13H,7-10H2,1-6H3;9-12H,6-8H2,1-5H3;10-12H,5-9H2,1-4H3/q+1;;6*+1/p+1.

What are the key properties of dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide?

dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide has a molecular weight of 1911.03 g/mol, XLogP of 15.21, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[1-(2-methylpropanoyl)piperidin-4-yl]-propan-2-ylazanium;2-methyl-1-(5-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium-2-yl)propan-1-one;2-methyl-1-(5-methyl-5-propan-2-yl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-2-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)propan-1-one;2-methyl-1-(1-propan-2-yl-4-aza-1-azoniabicyclo[3.2.1]octan-4-yl)propan-1-one;2-methyl-1-(5-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridin-5-ium-1-yl)propan-1-one;2-methyl-N-[(4-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-yl)methyl]propanamide is sourced from PubChem (CID 158955994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).