2-benzyl-2-azatricyclo[2.2.1.11,4]octane

C14H17N — CID 105452333

IUPAC2-benzyl-2-azatricyclo[2.2.1.11,4]octane
SMILESc1ccc(CN2CC34CCC2(C3)C4)cc1
InChIInChI=1S/C14H17N/c1-2-4-12(5-3-1)8-15-11-13-6-7-14(15,9-13)10-13/h1-5H,6-11H2
InChIKeyQERZATXRCCPEME-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.82
Rot. Bonds2

About 2-benzyl-2-azatricyclo[2.2.1.11,4]octane

2-benzyl-2-azatricyclo[2.2.1.11,4]octane (PubChem CID 105452333) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-benzyl-2-azatricyclo[2.2.1.11,4]octane.

Molecular Properties

Compound Name2-benzyl-2-azatricyclo[2.2.1.11,4]octane
PubChem CID105452333
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-benzyl-2-azatricyclo[2.2.1.11,4]octane
SMILESc1ccc(CN2CC34CCC2(C3)C4)cc1
InChIInChI=1S/C14H17N/c1-2-4-12(5-3-1)8-15-11-13-6-7-14(15,9-13)10-13/h1-5H,6-11H2
InChIKeyQERZATXRCCPEME-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.82
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 2-benzyl-2-azatricyclo[2.2.1.11,4]octane?
The IUPAC name of 2-benzyl-2-azatricyclo[2.2.1.11,4]octane (CID 105452333) is 2-benzyl-2-azatricyclo[2.2.1.11,4]octane.
What is the SMILES notation for 2-benzyl-2-azatricyclo[2.2.1.11,4]octane?
The canonical SMILES for 2-benzyl-2-azatricyclo[2.2.1.11,4]octane is c1ccc(CN2CC34CCC2(C3)C4)cc1.
What is the InChIKey of 2-benzyl-2-azatricyclo[2.2.1.11,4]octane?
The InChIKey is QERZATXRCCPEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-4-12(5-3-1)8-15-11-13-6-7-14(15,9-13)10-13/h1-5H,6-11H2.
What are the key properties of 2-benzyl-2-azatricyclo[2.2.1.11,4]octane?
2-benzyl-2-azatricyclo[2.2.1.11,4]octane has a molecular weight of 199.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-azatricyclo[2.2.1.11,4]octane is sourced from PubChem (CID 105452333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).