13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene

C16H19N — CID 135201650

IUPAC13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
SMILESCC1(C)CCCc2cccc3ccnc(c23)C1
InChIInChI=1S/C16H19N/c1-16(2)9-4-7-12-5-3-6-13-8-10-17-14(11-16)15(12)13/h3,5-6,8,10H,4,7,9,11H2,1-2H3
InChIKeyDZIACWBLCFSNJD-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.14
Rot. Bonds

About 13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene

13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene (PubChem CID 135201650) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene.

Molecular Properties

Compound Name13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
PubChem CID135201650
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
SMILESCC1(C)CCCc2cccc3ccnc(c23)C1
InChIInChI=1S/C16H19N/c1-16(2)9-4-7-12-5-3-6-13-8-10-17-14(11-16)15(12)13/h3,5-6,8,10H,4,7,9,11H2,1-2H3
InChIKeyDZIACWBLCFSNJD-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The IUPAC name of 13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene (CID 135201650) is 13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene.
What is the SMILES notation for 13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The canonical SMILES for 13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene is CC1(C)CCCc2cccc3ccnc(c23)C1.
What is the InChIKey of 13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The InChIKey is DZIACWBLCFSNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-16(2)9-4-7-12-5-3-6-13-8-10-17-14(11-16)15(12)13/h3,5-6,8,10H,4,7,9,11H2,1-2H3.
What are the key properties of 13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene has a molecular weight of 225.34 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene is sourced from PubChem (CID 135201650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).