11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C17H19N — CID 171724156

IUPAC11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESCc1c2ccc(c1C)CCc1ccc(cn1)CC2
InChIInChI=1S/C17H19N/c1-12-13(2)16-7-6-15(12)5-3-14-4-9-17(10-8-16)18-11-14/h4,6-7,9,11H,3,5,8,10H2,1-2H3
InChIKeyATNLOWKOIXNVKD-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.58
Rot. Bonds

About 11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 171724156) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID171724156
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESCc1c2ccc(c1C)CCc1ccc(cn1)CC2
InChIInChI=1S/C17H19N/c1-12-13(2)16-7-6-15(12)5-3-14-4-9-17(10-8-16)18-11-14/h4,6-7,9,11H,3,5,8,10H2,1-2H3
InChIKeyATNLOWKOIXNVKD-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 171724156) is 11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is Cc1c2ccc(c1C)CCc1ccc(cn1)CC2.
What is the InChIKey of 11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is ATNLOWKOIXNVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-12-13(2)16-7-6-15(12)5-3-14-4-9-17(10-8-16)18-11-14/h4,6-7,9,11H,3,5,8,10H2,1-2H3.
What are the key properties of 11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 237.35 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethyl-5-azatricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 171724156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).