13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene

C24H32N2O — CID 19095395

IUPAC13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene
SMILESCCCCCCCCOc1ccc2c(c1)CCc1cc3n(c1-2)CCN=C3C
InChIInChI=1S/C24H32N2O/c1-3-4-5-6-7-8-15-27-21-11-12-22-19(16-21)9-10-20-17-23-18(2)25-13-14-26(23)24(20)22/h11-12,16-17H,3-10,13-15H2,1-2H3
InChIKeyCUPAARGBUPNKMO-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.82
Rot. Bonds8

About 13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene

13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene (PubChem CID 19095395) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene
PubChem CID19095395
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene
SMILESCCCCCCCCOc1ccc2c(c1)CCc1cc3n(c1-2)CCN=C3C
InChIInChI=1S/C24H32N2O/c1-3-4-5-6-7-8-15-27-21-11-12-22-19(16-21)9-10-20-17-23-18(2)25-13-14-26(23)24(20)22/h11-12,16-17H,3-10,13-15H2,1-2H3
InChIKeyCUPAARGBUPNKMO-UHFFFAOYSA-N
XLogP5.82
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene?
The IUPAC name of 13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene (CID 19095395) is 13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene?
The canonical SMILES for 13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene is CCCCCCCCOc1ccc2c(c1)CCc1cc3n(c1-2)CCN=C3C.
What is the InChIKey of 13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene?
The InChIKey is CUPAARGBUPNKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-3-4-5-6-7-8-15-27-21-11-12-22-19(16-21)9-10-20-17-23-18(2)25-13-14-26(23)24(20)22/h11-12,16-17H,3-10,13-15H2,1-2H3.
What are the key properties of 13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene?
13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene has a molecular weight of 364.53 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-5-octoxy-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 19095395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).