11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

C17H14N2 — CID 139380761

IUPAC11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESCC1(C)c2cnccc2-c2c1cnc1ccccc21
InChIInChI=1S/C17H14N2/c1-17(2)13-9-18-8-7-11(13)16-12-5-3-4-6-15(12)19-10-14(16)17/h3-10H,1-2H3
InChIKeyPXUPPLCXNLXRCG-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.94
Rot. Bonds

About 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (PubChem CID 139380761) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

Molecular Properties

Compound Name11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
PubChem CID139380761
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESCC1(C)c2cnccc2-c2c1cnc1ccccc21
InChIInChI=1S/C17H14N2/c1-17(2)13-9-18-8-7-11(13)16-12-5-3-4-6-15(12)19-10-14(16)17/h3-10H,1-2H3
InChIKeyPXUPPLCXNLXRCG-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The IUPAC name of 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (CID 139380761) is 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.
What is the SMILES notation for 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The canonical SMILES for 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is CC1(C)c2cnccc2-c2c1cnc1ccccc21.
What is the InChIKey of 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The InChIKey is PXUPPLCXNLXRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-17(2)13-9-18-8-7-11(13)16-12-5-3-4-6-15(12)19-10-14(16)17/h3-10H,1-2H3.
What are the key properties of 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene has a molecular weight of 246.31 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is sourced from PubChem (CID 139380761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).