15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

C30H32NO+ — CID 164722888

About 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (PubChem CID 164722888) has the molecular formula C30H32NO+ and a molecular weight of 422.59 g/mol. Its IUPAC name is 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.

Molecular Properties

• Compound Name: 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
• PubChem CID: 164722888
• Molecular Formula: C30H32NO+
• Molecular Weight: 422.59 g/mol
• Exact Mass: 422.25
• IUPAC Name: 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
• SMILES: Cc1c2c(c(CC(C)C)c3ccccc13)Oc1cc(C3CCCC3)cc3cc[n+](C)c-2c13
• InChI: InChI=1S/C30H32NO/c1-18(2)15-25-24-12-8-7-11-23(24)19(3)27-29-28-21(13-14-31(29)4)16-22(20-9-5-6-10-20)17-26(28)32-30(25)27/h7-8,11-14,16-18,20H,5-6,9-10,15H2,1-4H3/q+1
• InChIKey: KXUKDNYQZRCVLZ-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 13.11 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.59
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?

The IUPAC name of 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (CID 164722888) is 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.

What is the SMILES notation for 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?

The canonical SMILES for 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is Cc1c2c(c(CC(C)C)c3ccccc13)Oc1cc(C3CCCC3)cc3cc[n+](C)c-2c13.

What is the InChIKey of 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?

The InChIKey is KXUKDNYQZRCVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32NO/c1-18(2)15-25-24-12-8-7-11-23(24)19(3)27-29-28-21(13-14-31(29)4)16-22(20-9-5-6-10-20)17-26(28)32-30(25)27/h7-8,11-14,16-18,20H,5-6,9-10,15H2,1-4H3/q+1.

What are the key properties of 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?

15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene has a molecular weight of 422.59 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 15-cyclopentyl-3,20-dimethyl-10-(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is sourced from PubChem (CID 164722888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).