5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C16H23N — CID 166896813

IUPAC5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCC(C)C(C)(C)c1cc2c(cn1)C1CCC2C1
InChIInChI=1S/C16H23N/c1-10(2)16(3,4)15-8-13-11-5-6-12(7-11)14(13)9-17-15/h8-12H,5-7H2,1-4H3
InChIKeyQMBARHZZSKVYET-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.38
Rot. Bonds2

About 5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 166896813) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID166896813
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCC(C)C(C)(C)c1cc2c(cn1)C1CCC2C1
InChIInChI=1S/C16H23N/c1-10(2)16(3,4)15-8-13-11-5-6-12(7-11)14(13)9-17-15/h8-12H,5-7H2,1-4H3
InChIKeyQMBARHZZSKVYET-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 166896813) is 5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is CC(C)C(C)(C)c1cc2c(cn1)C1CCC2C1.
What is the InChIKey of 5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is QMBARHZZSKVYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-10(2)16(3,4)15-8-13-11-5-6-12(7-11)14(13)9-17-15/h8-12H,5-7H2,1-4H3.
What are the key properties of 5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 229.37 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutan-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 166896813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).