5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C18H20N2 — CID 118055296

IUPAC5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESc1ccc(Cc2ccc3c4c2CCN4CCNC3)cc1
InChIInChI=1S/C18H20N2/c1-2-4-14(5-3-1)12-15-6-7-16-13-19-9-11-20-10-8-17(15)18(16)20/h1-7,19H,8-13H2
InChIKeyIWUCIKAOMIQUBK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.74
Rot. Bonds2

About 5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055296) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055296
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESc1ccc(Cc2ccc3c4c2CCN4CCNC3)cc1
InChIInChI=1S/C18H20N2/c1-2-4-14(5-3-1)12-15-6-7-16-13-19-9-11-20-10-8-17(15)18(16)20/h1-7,19H,8-13H2
InChIKeyIWUCIKAOMIQUBK-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055296) is 5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is c1ccc(Cc2ccc3c4c2CCN4CCNC3)cc1.
What is the InChIKey of 5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is IWUCIKAOMIQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-4-14(5-3-1)12-15-6-7-16-13-19-9-11-20-10-8-17(15)18(16)20/h1-7,19H,8-13H2.
What are the key properties of 5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 264.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).