19-(cyclopentylmethyl)-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

C30H29N2+ — CID 170684817

About 19-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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 170684817) has the molecular formula C30H29N2+ and a molecular weight of 417.58 g/mol. Its IUPAC name is 19-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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: 170684817
• Molecular Formula: C30H29N2+
• Molecular Weight: 417.58 g/mol
• Exact Mass: 417.23
• IUPAC Name: 19-(cyclopentylmethyl)-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(CC2CCCC2)cc2cc[n+](C)c3c21
• InChI: InChI=1S/C30H29N2/c1-18-7-6-10-24-26(18)23-12-11-19(2)27-29(23)32(24)25-17-21(15-20-8-4-5-9-20)16-22-13-14-31(3)30(27)28(22)25/h6-7,10-14,16-17,20H,4-5,8-9,15H2,1-3H3/q+1
• InChIKey: MUKUZPOJWSGVQE-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 8.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.58
LogP ≤ 5	7.16
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)-6,11,14-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)-6,11,14-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 170684817) is 19-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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(CC2CCCC2)cc2cc[n+](C)c3c21.

What is the InChIKey of 19-(cyclopentylmethyl)-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 MUKUZPOJWSGVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N2/c1-18-7-6-10-24-26(18)23-12-11-19(2)27-29(23)32(24)25-17-21(15-20-8-4-5-9-20)16-22-13-14-31(3)30(27)28(22)25/h6-7,10-14,16-17,20H,4-5,8-9,15H2,1-3H3/q+1.

What are the key properties of 19-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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 417.58 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(cyclopentylmethyl)-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 170684817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).