6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene

C24H24N2 — CID 144958712

About 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene

6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene (PubChem CID 144958712) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene.

Molecular Properties

• Compound Name: 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
• PubChem CID: 144958712
• Molecular Formula: C24H24N2
• Molecular Weight: 340.47 g/mol
• Exact Mass: 340.19
• IUPAC Name: 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
• SMILES: CC1CC1(C)c1cccc2c3cccc4c3n3c(cnc3c12)C(C)(C)C4
• InChI: InChI=1S/C24H24N2/c1-14-11-24(14,4)18-10-6-8-16-17-9-5-7-15-12-23(2,3)19-13-25-22(20(16)18)26(19)21(15)17/h5-10,13-14H,11-12H2,1-4H3
• InChIKey: HTSDOYJXGUOOFB-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.47
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?

The IUPAC name of 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene (CID 144958712) is 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene.

What is the SMILES notation for 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?

The canonical SMILES for 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene is CC1CC1(C)c1cccc2c3cccc4c3n3c(cnc3c12)C(C)(C)C4.

What is the InChIKey of 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?

The InChIKey is HTSDOYJXGUOOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-14-11-24(14,4)18-10-6-8-16-17-9-5-7-15-12-23(2,3)19-13-25-22(20(16)18)26(19)21(15)17/h5-10,13-14H,11-12H2,1-4H3.

What are the key properties of 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?

6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene has a molecular weight of 340.47 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,2-dimethylcyclopropyl)-12,12-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene is sourced from PubChem (CID 144958712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).