2-phenyl-2,5-diazabicyclo[2.2.1]heptane

C11H14N2 — CID 18437388

IUPAC2-phenyl-2,5-diazabicyclo[2.2.1]heptane
SMILESc1ccc(N2CC3CC2CN3)cc1
InChIInChI=1S/C11H14N2/c1-2-4-10(5-3-1)13-8-9-6-11(13)7-12-9/h1-5,9,11-12H,6-8H2
InChIKeyGWYXZPLBADDTQS-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.24
Rot. Bonds1

About 2-phenyl-2,5-diazabicyclo[2.2.1]heptane

2-phenyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 18437388) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-phenyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-phenyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID18437388
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-phenyl-2,5-diazabicyclo[2.2.1]heptane
SMILESc1ccc(N2CC3CC2CN3)cc1
InChIInChI=1S/C11H14N2/c1-2-4-10(5-3-1)13-8-9-6-11(13)7-12-9/h1-5,9,11-12H,6-8H2
InChIKeyGWYXZPLBADDTQS-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-phenyl-2,5-diazabicyclo[2.2.1]heptane (CID 18437388) is 2-phenyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-phenyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-phenyl-2,5-diazabicyclo[2.2.1]heptane is c1ccc(N2CC3CC2CN3)cc1.
What is the InChIKey of 2-phenyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is GWYXZPLBADDTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-4-10(5-3-1)13-8-9-6-11(13)7-12-9/h1-5,9,11-12H,6-8H2.
What are the key properties of 2-phenyl-2,5-diazabicyclo[2.2.1]heptane?
2-phenyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 174.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 18437388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).