12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one

C18H26N2O — CID 90243737

IUPAC12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
SMILESCC1(C)CCN2c3ccccc3NC(=O)C2CC(C)(C)C1
InChIInChI=1S/C18H26N2O/c1-17(2)9-10-20-14-8-6-5-7-13(14)19-16(21)15(20)11-18(3,4)12-17/h5-8,15H,9-12H2,1-4H3,(H,19,21)
InChIKeyGXAWAMBBDFMRGY-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.05
Rot. Bonds

About 12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one

12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one (PubChem CID 90243737) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
PubChem CID90243737
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
SMILESCC1(C)CCN2c3ccccc3NC(=O)C2CC(C)(C)C1
InChIInChI=1S/C18H26N2O/c1-17(2)9-10-20-14-8-6-5-7-13(14)19-16(21)15(20)11-18(3,4)12-17/h5-8,15H,9-12H2,1-4H3,(H,19,21)
InChIKeyGXAWAMBBDFMRGY-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one?
The IUPAC name of 12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one (CID 90243737) is 12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one.
What is the SMILES notation for 12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one?
The canonical SMILES for 12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one is CC1(C)CCN2c3ccccc3NC(=O)C2CC(C)(C)C1.
What is the InChIKey of 12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one?
The InChIKey is GXAWAMBBDFMRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2)9-10-20-14-8-6-5-7-13(14)19-16(21)15(20)11-18(3,4)12-17/h5-8,15H,9-12H2,1-4H3,(H,19,21).
What are the key properties of 12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one?
12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one has a molecular weight of 286.42 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one is sourced from PubChem (CID 90243737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).