ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

C19H24N2 — CID 143719284

IUPACethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESCC.Cc1cc(-c2ccccc2)c2c(n1)C1CCN2CC1
InChIInChI=1S/C17H18N2.C2H6/c1-12-11-15(13-5-3-2-4-6-13)17-16(18-12)14-7-9-19(17)10-8-14;1-2/h2-6,11,14H,7-10H2,1H3;1-2H3
InChIKeyTXHMYDPZTIOOSU-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.78
Rot. Bonds1

About ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (PubChem CID 143719284) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Nameethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
PubChem CID143719284
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Nameethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESCC.Cc1cc(-c2ccccc2)c2c(n1)C1CCN2CC1
InChIInChI=1S/C17H18N2.C2H6/c1-12-11-15(13-5-3-2-4-6-13)17-16(18-12)14-7-9-19(17)10-8-14;1-2/h2-6,11,14H,7-10H2,1H3;1-2H3
InChIKeyTXHMYDPZTIOOSU-UHFFFAOYSA-N
XLogP4.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The IUPAC name of ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (CID 143719284) is ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The canonical SMILES for ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is CC.Cc1cc(-c2ccccc2)c2c(n1)C1CCN2CC1.
What is the InChIKey of ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The InChIKey is TXHMYDPZTIOOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.C2H6/c1-12-11-15(13-5-3-2-4-6-13)17-16(18-12)14-7-9-19(17)10-8-14;1-2/h2-6,11,14H,7-10H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene has a molecular weight of 280.42 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-phenyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 143719284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).