19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene

C32H32FN2+ — CID 166029438

About 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene

19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene (PubChem CID 166029438) has the molecular formula C32H32FN2+ and a molecular weight of 463.62 g/mol. Its IUPAC name is 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene.

Molecular Properties

• Compound Name: 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene
• PubChem CID: 166029438
• Molecular Formula: C32H32FN2+
• Molecular Weight: 463.62 g/mol
• Exact Mass: 463.25
• IUPAC Name: 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene
• SMILES: Cc1c(F)c2c3ccccc3n3c4cc(C5CCC(C)(C)CC5)cc5cc[n+](C)c(c(c1C)c23)c54
• InChI: InChI=1S/C32H32FN2/c1-18-19(2)29(33)28-23-8-6-7-9-24(23)35-25-17-22(20-10-13-32(3,4)14-11-20)16-21-12-15-34(5)30(27(21)25)26(18)31(28)35/h6-9,12,15-17,20H,10-11,13-14H2,1-5H3/q+1
• InChIKey: AOVBHZFPEZQSFI-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.62
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene?

The IUPAC name of 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene (CID 166029438) is 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene.

What is the SMILES notation for 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene?

The canonical SMILES for 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene is Cc1c(F)c2c3ccccc3n3c4cc(C5CCC(C)(C)CC5)cc5cc[n+](C)c(c(c1C)c23)c54.

What is the InChIKey of 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene?

The InChIKey is AOVBHZFPEZQSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN2/c1-18-19(2)29(33)28-23-8-6-7-9-24(23)35-25-17-22(20-10-13-32(3,4)14-11-20)16-21-12-15-34(5)30(27(21)25)26(18)31(28)35/h6-9,12,15-17,20H,10-11,13-14H2,1-5H3/q+1.

What are the key properties of 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene?

19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene has a molecular weight of 463.62 g/mol, XLogP of 8.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(4,4-dimethylcyclohexyl)-9-fluoro-10,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8,10,12(22),13,15,17,19,21(23)-undecaene is sourced from PubChem (CID 166029438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).