N,N,11,14-tetramethyl-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-3-amine

C25H22N3+ — CID 170685354

About N,N,11,14-tetramethyl-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-3-amine

N,N,11,14-tetramethyl-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-3-amine (PubChem CID 170685354) has the molecular formula C25H22N3+ and a molecular weight of 364.47 g/mol. Its IUPAC name is N,N,11,14-tetramethyl-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-3-amine.

Molecular Properties

• Compound Name: N,N,11,14-tetramethyl-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-3-amine
• PubChem CID: 170685354
• Molecular Formula: C25H22N3+
• Molecular Weight: 364.47 g/mol
• Exact Mass: 364.18
• IUPAC Name: N,N,11,14-tetramethyl-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-3-amine
• SMILES: Cc1ccc2c3cccc(N(C)C)c3n3c4cccc5cc[n+](C)c(c1c23)c54
• InChI: InChI=1S/C25H22N3/c1-15-11-12-18-17-8-6-10-20(26(2)3)23(17)28-19-9-5-7-16-13-14-27(4)25(22(16)19)21(15)24(18)28/h5-14H,1-4H3/q+1
• InChIKey: JRCJDJOMSHCHRI-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 11.53 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.47
LogP ≤ 5	5.19
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,N,11,14-tetramethyl-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-3-amine?

The IUPAC name of N,N,11,14-tetramethyl-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-3-amine (CID 170685354) is N,N,11,14-tetramethyl-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-3-amine.

What is the SMILES notation for N,N,11,14-tetramethyl-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-3-amine?

The canonical SMILES for N,N,11,14-tetramethyl-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-3-amine is Cc1ccc2c3cccc(N(C)C)c3n3c4cccc5cc[n+](C)c(c1c23)c54.

What is the InChIKey of N,N,11,14-tetramethyl-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-3-amine?

The InChIKey is JRCJDJOMSHCHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N3/c1-15-11-12-18-17-8-6-10-20(26(2)3)23(17)28-19-9-5-7-16-13-14-27(4)25(22(16)19)21(15)24(18)28/h5-14H,1-4H3/q+1.

What are the key properties of N,N,11,14-tetramethyl-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-3-amine?

N,N,11,14-tetramethyl-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-3-amine has a molecular weight of 364.47 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,11,14-tetramethyl-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-3-amine is sourced from PubChem (CID 170685354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).