4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane

C14H26N2 — CID 79680272

IUPAC4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane
SMILESC1CCC2(CC1)CC(N1CCCC1)CCN2
InChIInChI=1S/C14H26N2/c1-2-7-14(8-3-1)12-13(6-9-15-14)16-10-4-5-11-16/h13,15H,1-12H2
InChIKeyQRDFYOFMIQGKPB-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.54
Rot. Bonds1

About 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane

4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane (PubChem CID 79680272) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane
PubChem CID79680272
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane
SMILESC1CCC2(CC1)CC(N1CCCC1)CCN2
InChIInChI=1S/C14H26N2/c1-2-7-14(8-3-1)12-13(6-9-15-14)16-10-4-5-11-16/h13,15H,1-12H2
InChIKeyQRDFYOFMIQGKPB-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane 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 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane?
The IUPAC name of 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane (CID 79680272) is 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane.
What is the SMILES notation for 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane?
The canonical SMILES for 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane is C1CCC2(CC1)CC(N1CCCC1)CCN2.
What is the InChIKey of 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane?
The InChIKey is QRDFYOFMIQGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-7-14(8-3-1)12-13(6-9-15-14)16-10-4-5-11-16/h13,15H,1-12H2.
What are the key properties of 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane?
4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane has a molecular weight of 222.38 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane is sourced from PubChem (CID 79680272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).