3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene

C24H25N2O+ — CID 164722131

About 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene

3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene (PubChem CID 164722131) has the molecular formula C24H25N2O+ and a molecular weight of 357.48 g/mol. Its IUPAC name is 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene.

Molecular Properties

• Compound Name: 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene
• PubChem CID: 164722131
• Molecular Formula: C24H25N2O+
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.20
• IUPAC Name: 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene
• SMILES: Cc1c2c(cc3occc13)N(C)c1cc(CC(C)C)cc3cc[n+](C)c-2c13
• InChI: InChI=1S/C24H25N2O/c1-14(2)10-16-11-17-6-8-25(4)24-22-15(3)18-7-9-27-21(18)13-20(22)26(5)19(12-16)23(17)24/h6-9,11-14H,10H2,1-5H3/q+1
• InChIKey: MRLDGAPRWDNZIE-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 20.26 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene?

The IUPAC name of 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene (CID 164722131) is 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene.

What is the SMILES notation for 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene?

The canonical SMILES for 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene is Cc1c2c(cc3occc13)N(C)c1cc(CC(C)C)cc3cc[n+](C)c-2c13.

What is the InChIKey of 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene?

The InChIKey is MRLDGAPRWDNZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N2O/c1-14(2)10-16-11-17-6-8-25(4)24-22-15(3)18-7-9-27-21(18)13-20(22)26(5)19(12-16)23(17)24/h6-9,11-14H,10H2,1-5H3/q+1.

What are the key properties of 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene?

3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene has a molecular weight of 357.48 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,11,19-trimethyl-14-(2-methylpropyl)-7-oxa-11-aza-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene is sourced from PubChem (CID 164722131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).