7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane

C13H18N2 — CID 70687958

IUPAC7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane
SMILESc1ccc(CCN2C3CCC2CC3)nc1
InChIInChI=1S/C13H18N2/c1-2-9-14-11(3-1)8-10-15-12-4-5-13(15)7-6-12/h1-3,9,12-13H,4-8,10H2
InChIKeySRRZEMVAQOSBLB-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.25
Rot. Bonds3

About 7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane

7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 70687958) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane
PubChem CID70687958
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane
SMILESc1ccc(CCN2C3CCC2CC3)nc1
InChIInChI=1S/C13H18N2/c1-2-9-14-11(3-1)8-10-15-12-4-5-13(15)7-6-12/h1-3,9,12-13H,4-8,10H2
InChIKeySRRZEMVAQOSBLB-UHFFFAOYSA-N
XLogP2.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane (CID 70687958) is 7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane is c1ccc(CCN2C3CCC2CC3)nc1.
What is the InChIKey of 7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is SRRZEMVAQOSBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-9-14-11(3-1)8-10-15-12-4-5-13(15)7-6-12/h1-3,9,12-13H,4-8,10H2.
What are the key properties of 7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane?
7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 202.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyridin-2-ylethyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 70687958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).