19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene

C30H32N3+ — CID 170684897

About 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene

19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene (PubChem CID 170684897) has the molecular formula C30H32N3+ and a molecular weight of 434.61 g/mol. Its IUPAC name is 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene.

Molecular Properties

• Compound Name: 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
• PubChem CID: 170684897
• Molecular Formula: C30H32N3+
• Molecular Weight: 434.61 g/mol
• Exact Mass: 434.26
• IUPAC Name: 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
• SMILES: Cc1ccc2c3c(C(C)C)cccc3n3c4cc(CC(C)(C)C)cc5nc[n+](C)c(c1c23)c54
• InChI: InChI=1S/C30H32N3/c1-17(2)20-9-8-10-23-26(20)21-12-11-18(3)25-28(21)33(23)24-14-19(15-30(4,5)6)13-22-27(24)29(25)32(7)16-31-22/h8-14,16-17H,15H2,1-7H3/q+1
• InChIKey: JIJGFCADSYCJCU-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 21.18 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.61
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

The IUPAC name of 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene (CID 170684897) is 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene.

What is the SMILES notation for 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

The canonical SMILES for 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene is Cc1ccc2c3c(C(C)C)cccc3n3c4cc(CC(C)(C)C)cc5nc[n+](C)c(c1c23)c54.

What is the InChIKey of 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

The InChIKey is JIJGFCADSYCJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N3/c1-17(2)20-9-8-10-23-26(20)21-12-11-18(3)25-28(21)33(23)24-14-19(15-30(4,5)6)13-22-27(24)29(25)32(7)16-31-22/h8-14,16-17H,15H2,1-7H3/q+1.

What are the key properties of 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene has a molecular weight of 434.61 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(2,2-dimethylpropyl)-11,14-dimethyl-6-propan-2-yl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene is sourced from PubChem (CID 170684897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).