15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C20H20N2 — CID 15149393

IUPAC15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc(CN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C20H20N2/c1-2-6-14(7-3-1)13-22-15-10-11-19(22)20-16-8-4-5-9-17(16)21-18(20)12-15/h1-9,15,19,21H,10-13H2
InChIKeyPQZAXDIYQMDNRT-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.43
Rot. Bonds2

About 15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149393) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149393
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc(CN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C20H20N2/c1-2-6-14(7-3-1)13-22-15-10-11-19(22)20-16-8-4-5-9-17(16)21-18(20)12-15/h1-9,15,19,21H,10-13H2
InChIKeyPQZAXDIYQMDNRT-UHFFFAOYSA-N
XLogP4.43
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149393) is 15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is c1ccc(CN2C3CCC2c2c([nH]c4ccccc24)C3)cc1.
What is the InChIKey of 15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is PQZAXDIYQMDNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-2-6-14(7-3-1)13-22-15-10-11-19(22)20-16-8-4-5-9-17(16)21-18(20)12-15/h1-9,15,19,21H,10-13H2.
What are the key properties of 15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 288.39 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-benzyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).