15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene

C26H26N3+ — CID 164722515

About 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene

15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene (PubChem CID 164722515) has the molecular formula C26H26N3+ and a molecular weight of 380.52 g/mol. Its IUPAC name is 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene.

Molecular Properties

• Compound Name: 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
• PubChem CID: 164722515
• Molecular Formula: C26H26N3+
• Molecular Weight: 380.52 g/mol
• Exact Mass: 380.21
• IUPAC Name: 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
• SMILES: Cc1c2c(cc3ccccc13)N(C)c1cc(C3CCCC3)cc3nc[n+](C)c-2c13
• InChI: InChI=1S/C26H26N3/c1-16-20-11-7-6-10-18(20)13-22-24(16)26-25-21(27-15-28(26)2)12-19(14-23(25)29(22)3)17-8-4-5-9-17/h6-7,10-15,17H,4-5,8-9H2,1-3H3/q+1
• InChIKey: QXZKKFNDINOEGJ-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 20.01 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.52
LogP ≤ 5	5.93
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 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

The IUPAC name of 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene (CID 164722515) is 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene.

What is the SMILES notation for 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

The canonical SMILES for 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene is Cc1c2c(cc3ccccc13)N(C)c1cc(C3CCCC3)cc3nc[n+](C)c-2c13.

What is the InChIKey of 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

The InChIKey is QXZKKFNDINOEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N3/c1-16-20-11-7-6-10-18(20)13-22-24(16)26-25-21(27-15-28(26)2)12-19(14-23(25)29(22)3)17-8-4-5-9-17/h6-7,10-15,17H,4-5,8-9H2,1-3H3/q+1.

What are the key properties of 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene has a molecular weight of 380.52 g/mol, XLogP of 5.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15-cyclopentyl-3,12,20-trimethyl-12,18-diaza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene is sourced from PubChem (CID 164722515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).