10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

C15H21N — CID 166495075

IUPAC10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESCC(C)(C)N1CC2CC(C1)c1ccccc12
InChIInChI=1S/C15H21N/c1-15(2,3)16-9-11-8-12(10-16)14-7-5-4-6-13(11)14/h4-7,11-12H,8-10H2,1-3H3
InChIKeyZZMJTKJNQXNQSW-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.37
Rot. Bonds

About 10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (PubChem CID 166495075) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
PubChem CID166495075
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
SMILESCC(C)(C)N1CC2CC(C1)c1ccccc12
InChIInChI=1S/C15H21N/c1-15(2,3)16-9-11-8-12(10-16)14-7-5-4-6-13(11)14/h4-7,11-12H,8-10H2,1-3H3
InChIKeyZZMJTKJNQXNQSW-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene (CID 166495075) is 10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is CC(C)(C)N1CC2CC(C1)c1ccccc12.
What is the InChIKey of 10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
The InChIKey is ZZMJTKJNQXNQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-15(2,3)16-9-11-8-12(10-16)14-7-5-4-6-13(11)14/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene?
10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene has a molecular weight of 215.34 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 166495075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).