5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene

C17H18N2 — CID 54254954

IUPAC5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene
SMILESCC1=C/C2=C/C3=C=C(/C=C(/C=C1C)C2)N(C)C(C)=N3
InChIInChI=1S/C17H18N2/c1-11-5-14-7-15(6-12(11)2)9-17-10-16(8-14)18-13(3)19(17)4/h5-6,8-9H,7H2,1-4H3/b14-8-,15-9-
InChIKeyXVVWRSULDDVZOI-SFGFDRCGSA-N
MW250.34 g/mol
LogP3.88
Rot. Bonds

About 5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene

5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene (PubChem CID 54254954) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene.

Molecular Properties

Compound Name5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene
PubChem CID54254954
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene
SMILESCC1=C/C2=C/C3=C=C(/C=C(/C=C1C)C2)N(C)C(C)=N3
InChIInChI=1S/C17H18N2/c1-11-5-14-7-15(6-12(11)2)9-17-10-16(8-14)18-13(3)19(17)4/h5-6,8-9H,7H2,1-4H3/b14-8-,15-9-
InChIKeyXVVWRSULDDVZOI-SFGFDRCGSA-N
XLogP3.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethane;5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene
CID 54254953
3,4,8,9-Tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene
CID 54528064
1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole
CID 134288755
N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane
CID 143904574
4-ethenyl-N-methyl-N-[(2E,4Z)-5-(2-methylcyclohepta-1,3,5-trien-1-yl)penta-2,4-dien-2-yl]-2H-azepin-7-amine
CID 146259495
N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine
CID 143904575

Frequently Asked Questions

What is the IUPAC name of 5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene?
The IUPAC name of 5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene (CID 54254954) is 5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene.
What is the SMILES notation for 5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene?
The canonical SMILES for 5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene is CC1=C/C2=C/C3=C=C(/C=C(/C=C1C)C2)N(C)C(C)=N3.
What is the InChIKey of 5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene?
The InChIKey is XVVWRSULDDVZOI-SFGFDRCGSA-N. The full InChI is InChI=1S/C17H18N2/c1-11-5-14-7-15(6-12(11)2)9-17-10-16(8-14)18-13(3)19(17)4/h5-6,8-9H,7H2,1-4H3/b14-8-,15-9-.
What are the key properties of 5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene?
5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene has a molecular weight of 250.34 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene is sourced from PubChem (CID 54254954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).