dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane

C103H213N11+8 — CID 159397637

About dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane

dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane (PubChem CID 159397637) has the molecular formula C103H213N11+8 and a molecular weight of 1605.91 g/mol. Its IUPAC name is dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane
• PubChem CID: 159397637
• Molecular Formula: C103H213N11+8
• Molecular Weight: 1605.91 g/mol
• Exact Mass: 1604.70
• IUPAC Name: dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane
• SMILES: CC(C)C12CCC[N+]1(C(C)C)CCC2.CC(C)C1CC2CCC(C1)[N+]2(C)C(C)C.CC(C)C1CC2CCCC(C1)[N+]2(C)C(C)C.CC(C)C1CC[N+]2(C(C)C)CCCC12.CC(C)N1CC2CCC(C1)[N+]2(C)C(C)C.CC(C)N1CC2CCC1C[N+]2(C)C(C)C.CC(C)N1CC2CCCC(C1)[N+]2(C)C(C)C.CC(C)[N+](C)(C)C(C)C
• InChI: InChI=1S/C15H30N.C14H29N2.C14H28N.2C13H27N2.2C13H26N.C8H20N/c1-11(2)13-9-14-7-6-8-15(10-13)16(14,5)12(3)4;1-11(2)15-9-13-7-6-8-14(10-15)16(13,5)12(3)4;1-10(2)12-8-13-6-7-14(9-12)15(13,5)11(3)4;1-10(2)14-8-13-7-6-12(14)9-15(13,5)11(3)4;1-10(2)14-8-12-6-7-13(9-14)15(12,5)11(3)4;1-11(2)13-7-5-9-14(13,12(3)4)10-6-8-13;1-10(2)12-7-9-14(11(3)4)8-5-6-13(12)14;1-7(2)9(5,6)8(3)4/h11-15H,6-10H2,1-5H3;11-14H,6-10H2,1-5H3;10-14H,6-9H2,1-5H3;2*10-13H,6-9H2,1-5H3;11-12H,5-10H2,1-4H3;10-13H,5-9H2,1-4H3;7-8H,1-6H3/q8*+1
• InChIKey: LMXZXAKGTLZVTC-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1605.91
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane?

The IUPAC name of dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane (CID 159397637) is dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane.

What is the SMILES notation for dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane?

The canonical SMILES for dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane is CC(C)C12CCC[N+]1(C(C)C)CCC2.CC(C)C1CC2CCC(C1)[N+]2(C)C(C)C.CC(C)C1CC2CCCC(C1)[N+]2(C)C(C)C.CC(C)C1CC[N+]2(C(C)C)CCCC12.CC(C)N1CC2CCC(C1)[N+]2(C)C(C)C.CC(C)N1CC2CCC1C[N+]2(C)C(C)C.CC(C)N1CC2CCCC(C1)[N+]2(C)C(C)C.CC(C)[N+](C)(C)C(C)C.

What is the InChIKey of dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane?

The InChIKey is LMXZXAKGTLZVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N.C14H29N2.C14H28N.2C13H27N2.2C13H26N.C8H20N/c1-11(2)13-9-14-7-6-8-15(10-13)16(14,5)12(3)4;1-11(2)15-9-13-7-6-8-14(10-15)16(13,5)12(3)4;1-10(2)12-8-13-6-7-14(9-12)15(13,5)11(3)4;1-10(2)14-8-13-7-6-12(14)9-15(13,5)11(3)4;1-10(2)14-8-12-6-7-13(9-14)15(12,5)11(3)4;1-11(2)13-7-5-9-14(13,12(3)4)10-6-8-13;1-10(2)12-7-9-14(11(3)4)8-5-6-13(12)14;1-7(2)9(5,6)8(3)4/h11-15H,6-10H2,1-5H3;11-14H,6-10H2,1-5H3;10-14H,6-9H2,1-5H3;2*10-13H,6-9H2,1-5H3;11-12H,5-10H2,1-4H3;10-13H,5-9H2,1-4H3;7-8H,1-6H3/q8*+1.

What are the key properties of dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane?

dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane has a molecular weight of 1605.91 g/mol, XLogP of 22.07, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane is sourced from PubChem (CID 159397637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).