19-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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

C35H39N2+ — CID 166029376

About 19-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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 166029376) has the molecular formula C35H39N2+ and a molecular weight of 487.71 g/mol. Its IUPAC name is 19-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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: 166029376
• Molecular Formula: C35H39N2+
• Molecular Weight: 487.71 g/mol
• Exact Mass: 487.31
• IUPAC Name: 19-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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: Cc1cc2c3c(CC(C)(C)C)cccc3n3c4cc(CC5CCCC5)cc5cc[n+](C)c(c(c1C)c23)c54
• InChI: InChI=1S/C35H39N2/c1-21-16-27-31-26(20-35(3,4)5)12-9-13-28(31)37-29-19-24(17-23-10-7-8-11-23)18-25-14-15-36(6)34(32(25)29)30(22(21)2)33(27)37/h9,12-16,18-19,23H,7-8,10-11,17,20H2,1-6H3/q+1
• InChIKey: MPGUKNINQOMBJJ-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.71
LogP ≤ 5	8.75
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-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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 166029376) is 19-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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 Cc1cc2c3c(CC(C)(C)C)cccc3n3c4cc(CC5CCCC5)cc5cc[n+](C)c(c(c1C)c23)c54.

What is the InChIKey of 19-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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 MPGUKNINQOMBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N2/c1-21-16-27-31-26(20-35(3,4)5)12-9-13-28(31)37-29-19-24(17-23-10-7-8-11-23)18-25-14-15-36(6)34(32(25)29)30(22(21)2)33(27)37/h9,12-16,18-19,23H,7-8,10-11,17,20H2,1-6H3/q+1.

What are the key properties of 19-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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 487.71 g/mol, XLogP of 8.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(cyclopentylmethyl)-6-(2,2-dimethylpropyl)-10,11,14-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 166029376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).