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

C21H30N2 — CID 54254953

IUPACethane;5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene
SMILESCC.CC.CC1=C/C2=C/C3=C=C(/C=C(/C=C1C)C2)N(C)C(C)=N3
InChIInChI=1S/C17H18N2.2C2H6/c1-11-5-14-7-15(6-12(11)2)9-17-10-16(8-14)18-13(3)19(17)4;2*1-2/h5-6,8-9H,7H2,1-4H3;2*1-2H3/b14-8-,15-9-;;
InChIKeyQZJLAJBMIXIKIH-HQIQWLCFSA-N
MW310.49 g/mol
LogP5.93
Rot. Bonds

About 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

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 (PubChem CID 54254953) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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 CID54254953
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Nameethane;5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene
SMILESCC.CC.CC1=C/C2=C/C3=C=C(/C=C(/C=C1C)C2)N(C)C(C)=N3
InChIInChI=1S/C17H18N2.2C2H6/c1-11-5-14-7-15(6-12(11)2)9-17-10-16(8-14)18-13(3)19(17)4;2*1-2/h5-6,8-9H,7H2,1-4H3;2*1-2H3/b14-8-,15-9-;;
InChIKeyQZJLAJBMIXIKIH-HQIQWLCFSA-N
XLogP5.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC1=C/C2=C/C3=C=C(/C=C(/C=C1C)C2)N(C)C(C)=N3.
What is the InChIKey of 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?
The InChIKey is QZJLAJBMIXIKIH-HQIQWLCFSA-N. The full InChI is InChI=1S/C17H18N2.2C2H6/c1-11-5-14-7-15(6-12(11)2)9-17-10-16(8-14)18-13(3)19(17)4;2*1-2/h5-6,8-9H,7H2,1-4H3;2*1-2H3/b14-8-,15-9-;;.
What are the key properties of 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?
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 has a molecular weight of 310.49 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54254953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).