4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C15H21N — CID 130466941

IUPAC4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCN1C2CCC1c1cc(C(C)(C)C)ccc12
InChIInChI=1S/C15H21N/c1-15(2,3)10-5-6-11-12(9-10)14-8-7-13(11)16(14)4/h5-6,9,13-14H,7-8H2,1-4H3
InChIKeyJUIUJXVHDIXORC-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.81
Rot. Bonds

About 4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 130466941) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID130466941
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCN1C2CCC1c1cc(C(C)(C)C)ccc12
InChIInChI=1S/C15H21N/c1-15(2,3)10-5-6-11-12(9-10)14-8-7-13(11)16(14)4/h5-6,9,13-14H,7-8H2,1-4H3
InChIKeyJUIUJXVHDIXORC-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 130466941) is 4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is CN1C2CCC1c1cc(C(C)(C)C)ccc12.
What is the InChIKey of 4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is JUIUJXVHDIXORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-15(2,3)10-5-6-11-12(9-10)14-8-7-13(11)16(14)4/h5-6,9,13-14H,7-8H2,1-4H3.
What are the key properties of 4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 215.34 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 130466941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).