N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine

C30H24N3+ — CID 170684976

About N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine

N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine (PubChem CID 170684976) has the molecular formula C30H24N3+ and a molecular weight of 426.54 g/mol. Its IUPAC name is N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine.

Molecular Properties

• Compound Name: N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine
• PubChem CID: 170684976
• Molecular Formula: C30H24N3+
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.20
• IUPAC Name: N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine
• SMILES: Cc1ccc2c3cc(N(C)c4ccccc4)ccc3n3c4cccc5cc[n+](C)c(c1c23)c54
• InChI: InChI=1S/C30H24N3/c1-19-12-14-23-24-18-22(32(3)21-9-5-4-6-10-21)13-15-25(24)33-26-11-7-8-20-16-17-31(2)30(28(20)26)27(19)29(23)33/h4-18H,1-3H3/q+1
• InChIKey: MTMBHTSUABKIPL-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 11.53 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	6.89
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 N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine?

The IUPAC name of N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine (CID 170684976) is N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine.

What is the SMILES notation for N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine?

The canonical SMILES for N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine is Cc1ccc2c3cc(N(C)c4ccccc4)ccc3n3c4cccc5cc[n+](C)c(c1c23)c54.

What is the InChIKey of N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine?

The InChIKey is MTMBHTSUABKIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N3/c1-19-12-14-23-24-18-22(32(3)21-9-5-4-6-10-21)13-15-25(24)33-26-11-7-8-20-16-17-31(2)30(28(20)26)27(19)29(23)33/h4-18H,1-3H3/q+1.

What are the key properties of N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine?

N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine has a molecular weight of 426.54 g/mol, XLogP of 6.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,11,14-trimethyl-N-phenyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-5-amine is sourced from PubChem (CID 170684976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).