9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C15H21N — CID 156565598

IUPAC9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCC1C(C)C2c3ccccc3C1N2C(C)C
InChIInChI=1S/C15H21N/c1-9(2)16-14-10(3)11(4)15(16)13-8-6-5-7-12(13)14/h5-11,14-15H,1-4H3
InChIKeyIWLXWLVKYXTBEY-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.78
Rot. Bonds1

About 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 156565598) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID156565598
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCC1C(C)C2c3ccccc3C1N2C(C)C
InChIInChI=1S/C15H21N/c1-9(2)16-14-10(3)11(4)15(16)13-8-6-5-7-12(13)14/h5-11,14-15H,1-4H3
InChIKeyIWLXWLVKYXTBEY-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 156565598) is 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is CC1C(C)C2c3ccccc3C1N2C(C)C.
What is the InChIKey of 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is IWLXWLVKYXTBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-9(2)16-14-10(3)11(4)15(16)13-8-6-5-7-12(13)14/h5-11,14-15H,1-4H3.
What are the key properties of 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 215.34 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 156565598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).