(6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate

C27H44N2O2 — CID 67422584

About (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate

(6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate (PubChem CID 67422584) has the molecular formula C27H44N2O2 and a molecular weight of 428.66 g/mol. Its IUPAC name is (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate.

Molecular Properties

• Compound Name: (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate
• PubChem CID: 67422584
• Molecular Formula: C27H44N2O2
• Molecular Weight: 428.66 g/mol
• Exact Mass: 428.34
• IUPAC Name: (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate
• SMILES: CCCN(C)C(=O)OC1CCC2(C)C(=CCC3C2CCC24CN(C)C(C)C2CCC34)C1
• InChI: InChI=1S/C27H44N2O2/c1-6-15-28(4)25(30)31-20-11-13-26(3)19(16-20)7-8-21-23(26)12-14-27-17-29(5)18(2)22(27)9-10-24(21)27/h7,18,20-24H,6,8-17H2,1-5H3
• InChIKey: SKBOVRACESETJN-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.66
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate?

The IUPAC name of (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate (CID 67422584) is (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate.

What is the SMILES notation for (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate?

The canonical SMILES for (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate is CCCN(C)C(=O)OC1CCC2(C)C(=CCC3C2CCC24CN(C)C(C)C2CCC34)C1.

What is the InChIKey of (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate?

The InChIKey is SKBOVRACESETJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N2O2/c1-6-15-28(4)25(30)31-20-11-13-26(3)19(16-20)7-8-21-23(26)12-14-27-17-29(5)18(2)22(27)9-10-24(21)27/h7,18,20-24H,6,8-17H2,1-5H3.

What are the key properties of (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate?

(6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate has a molecular weight of 428.66 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl) N-methyl-N-propylcarbamate is sourced from PubChem (CID 67422584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).