16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene

C24H28N2 — CID 142759487

About 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene

16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene (PubChem CID 142759487) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene.

Molecular Properties

• Compound Name: 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
• PubChem CID: 142759487
• Molecular Formula: C24H28N2
• Molecular Weight: 344.50 g/mol
• Exact Mass: 344.23
• IUPAC Name: 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
• SMILES: CN1C2CCCC1c1c(n(CCCc3ccccc3)c3ccccc13)C2
• InChI: InChI=1S/C24H28N2/c1-25-19-12-7-15-22(25)24-20-13-5-6-14-21(20)26(23(24)17-19)16-8-11-18-9-3-2-4-10-18/h2-6,9-10,13-14,19,22H,7-8,11-12,15-17H2,1H3
• InChIKey: MCVYUXWGIODZRF-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.50
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?

The IUPAC name of 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene (CID 142759487) is 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene.

What is the SMILES notation for 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?

The canonical SMILES for 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene is CN1C2CCCC1c1c(n(CCCc3ccccc3)c3ccccc13)C2.

What is the InChIKey of 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?

The InChIKey is MCVYUXWGIODZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-25-19-12-7-15-22(25)24-20-13-5-6-14-21(20)26(23(24)17-19)16-8-11-18-9-3-2-4-10-18/h2-6,9-10,13-14,19,22H,7-8,11-12,15-17H2,1H3.

What are the key properties of 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?

16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene has a molecular weight of 344.50 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 142759487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).