14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane]

C132H138N8O4+4 — CID 160900156

About 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane]

14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane] (PubChem CID 160900156) has the molecular formula C132H138N8O4+4 and a molecular weight of 1900.61 g/mol. Its IUPAC name is 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane].

Molecular Properties

• Compound Name: 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane]
• PubChem CID: 160900156
• Molecular Formula: C132H138N8O4+4
• Molecular Weight: 1900.61 g/mol
• Exact Mass: 1899.08
• IUPAC Name: 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane]
• SMILES: Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C(C)C)C(C)C)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(CC(C)(C)C)CC(C)(C)C)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(CC(C)C)CC(C)C)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C42CCCC2)c1
• InChI: InChI=1S/C36H41N2O.C34H37N2O.C32H33N2O.C30H27N2O/c1-22-16-17-38(9)29(18-22)30-23(2)14-15-25-27-19-26-24-12-10-11-13-28(24)36(20-34(3,4)5,21-35(6,7)8)32(26)37-33(27)39-31(25)30;1-20(2)18-34(19-21(3)4)28-11-9-8-10-24(28)26-17-27-25-13-12-23(6)30(29-16-22(5)14-15-36(29)7)31(25)37-33(27)35-32(26)34;1-18(2)32(19(3)4)26-11-9-8-10-22(26)24-17-25-23-13-12-21(6)28(27-16-20(5)14-15-34(27)7)29(23)35-31(25)33-30(24)32;1-18-12-15-32(3)25(16-18)26-19(2)10-11-21-23-17-22-20-8-4-5-9-24(20)30(13-6-7-14-30)28(22)31-29(23)33-27(21)26/h10-19H,20-21H2,1-9H3;8-17,20-21H,18-19H2,1-7H3;8-19H,1-7H3;4-5,8-12,15-17H,6-7,13-14H2,1-3H3/q4*+1
• InChIKey: SLHHVKUENYJKFZ-UHFFFAOYSA-N
• XLogP: 32.27
• TPSA: 119.64 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1900.61
LogP ≤ 5	32.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane]?

The IUPAC name of 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane] (CID 160900156) is 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane].

What is the SMILES notation for 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane]?

The canonical SMILES for 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane] is Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(C(C)C)C(C)C)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(CC(C)(C)C)CC(C)(C)C)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C4(CC(C)C)CC(C)C)c1.Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4c(cc23)-c2ccccc2C42CCCC2)c1.

What is the InChIKey of 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane]?

The InChIKey is SLHHVKUENYJKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N2O.C34H37N2O.C32H33N2O.C30H27N2O/c1-22-16-17-38(9)29(18-22)30-23(2)14-15-25-27-19-26-24-12-10-11-13-28(24)36(20-34(3,4)5,21-35(6,7)8)32(26)37-33(27)39-31(25)30;1-20(2)18-34(19-21(3)4)28-11-9-8-10-24(28)26-17-27-25-13-12-23(6)30(29-16-22(5)14-15-36(29)7)31(25)37-33(27)35-32(26)34;1-18(2)32(19(3)4)26-11-9-8-10-22(26)24-17-25-23-13-12-21(6)28(27-16-20(5)14-15-34(27)7)29(23)35-31(25)33-30(24)32;1-18-12-15-32(3)25(16-18)26-19(2)10-11-21-23-17-22-20-8-4-5-9-24(20)30(13-6-7-14-30)28(22)31-29(23)33-27(21)26/h10-19H,20-21H2,1-9H3;8-17,20-21H,18-19H2,1-7H3;8-19H,1-7H3;4-5,8-12,15-17H,6-7,13-14H2,1-3H3/q4*+1.

What are the key properties of 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane]?

14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane] has a molecular weight of 1900.61 g/mol, XLogP of 32.27, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-bis(2,2-dimethylpropyl)-8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-bis(2-methylpropyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methyl-14,14-di(propan-2-yl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylspiro[10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,1'-cyclopentane] is sourced from PubChem (CID 160900156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).