8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine

C19H20N2O2 — CID 54045232

IUPAC8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine
SMILESCCON=C1CC(=NOCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20N2O2/c1-3-22-20-18-13-19(21-23-4-2)17-12-8-6-10-15(17)14-9-5-7-11-16(14)18/h5-12H,3-4,13H2,1-2H3
InChIKeyLPBZZBSCPXXLTJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.24
Rot. Bonds4

About 8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine

8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine (PubChem CID 54045232) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine.

Molecular Properties

Compound Name8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine
PubChem CID54045232
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine
SMILESCCON=C1CC(=NOCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20N2O2/c1-3-22-20-18-13-19(21-23-4-2)17-12-8-6-10-15(17)14-9-5-7-11-16(14)18/h5-12H,3-4,13H2,1-2H3
InChIKeyLPBZZBSCPXXLTJ-UHFFFAOYSA-N
XLogP4.24
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine?
The IUPAC name of 8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine (CID 54045232) is 8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine.
What is the SMILES notation for 8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine?
The canonical SMILES for 8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine is CCON=C1CC(=NOCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine?
The InChIKey is LPBZZBSCPXXLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-22-20-18-13-19(21-23-4-2)17-12-8-6-10-15(17)14-9-5-7-11-16(14)18/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine?
8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine has a molecular weight of 308.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,10-N-diethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8,10-diimine is sourced from PubChem (CID 54045232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).