7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane

C12H22N2 — CID 131002453

IUPAC7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane
SMILESCC(C1CCCN1)N1C2CCC1CC2
InChIInChI=1S/C12H22N2/c1-9(12-3-2-8-13-12)14-10-4-5-11(14)7-6-10/h9-13H,2-8H2,1H3
InChIKeyCDQPXKNTBKGFCY-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.75
Rot. Bonds2

About 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane

7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 131002453) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane
PubChem CID131002453
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane
SMILESCC(C1CCCN1)N1C2CCC1CC2
InChIInChI=1S/C12H22N2/c1-9(12-3-2-8-13-12)14-10-4-5-11(14)7-6-10/h9-13H,2-8H2,1H3
InChIKeyCDQPXKNTBKGFCY-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane (CID 131002453) is 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane is CC(C1CCCN1)N1C2CCC1CC2.
What is the InChIKey of 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is CDQPXKNTBKGFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(12-3-2-8-13-12)14-10-4-5-11(14)7-6-10/h9-13H,2-8H2,1H3.
What are the key properties of 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane?
7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 194.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131002453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).