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

C32H33N2+ — CID 170685168

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

19-(4,4-dimethylcyclohexyl)-6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene (PubChem CID 170685168) has the molecular formula C32H33N2+ and a molecular weight of 445.63 g/mol. Its IUPAC name is 19-(4,4-dimethylcyclohexyl)-6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene.

Molecular Properties

• Compound Name: 19-(4,4-dimethylcyclohexyl)-6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene
• PubChem CID: 170685168
• Molecular Formula: C32H33N2+
• Molecular Weight: 445.63 g/mol
• Exact Mass: 445.26
• IUPAC Name: 19-(4,4-dimethylcyclohexyl)-6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene
• SMILES: Cc1cccc2c1c1ccc(C)c3c1n2c1cc(C2CCC(C)(C)CC2)cc2cc[n+](C)c3c21
• InChI: InChI=1S/C32H33N2/c1-19-7-6-8-25-27(19)24-10-9-20(2)28-30(24)34(25)26-18-23(21-11-14-32(3,4)15-12-21)17-22-13-16-33(5)31(28)29(22)26/h6-10,13,16-18,21H,11-12,14-15H2,1-5H3/q+1
• InChIKey: YWEDZWYUZJAASK-UHFFFAOYSA-N
• XLogP: 8.12
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.63
LogP ≤ 5	8.12
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)-6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

The IUPAC name of 19-(4,4-dimethylcyclohexyl)-6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene (CID 170685168) is 19-(4,4-dimethylcyclohexyl)-6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene.

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

The canonical SMILES for 19-(4,4-dimethylcyclohexyl)-6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene is Cc1cccc2c1c1ccc(C)c3c1n2c1cc(C2CCC(C)(C)CC2)cc2cc[n+](C)c3c21.

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

The InChIKey is YWEDZWYUZJAASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N2/c1-19-7-6-8-25-27(19)24-10-9-20(2)28-30(24)34(25)26-18-23(21-11-14-32(3,4)15-12-21)17-22-13-16-33(5)31(28)29(22)26/h6-10,13,16-18,21H,11-12,14-15H2,1-5H3/q+1.

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

19-(4,4-dimethylcyclohexyl)-6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene has a molecular weight of 445.63 g/mol, XLogP of 8.12, 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)-6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene is sourced from PubChem (CID 170685168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).