8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane

C13H20N3+ — CID 658424

IUPAC8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane
SMILESc1ccc(N2CC[N+]3(CCCC3)CC2)nc1
InChIInChI=1S/C13H20N3/c1-2-6-14-13(5-1)15-7-11-16(12-8-15)9-3-4-10-16/h1-2,5-6H,3-4,7-12H2/q+1
InChIKeyPDWBQXNXHUPCCT-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.51
Rot. Bonds1

About 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane

8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane (PubChem CID 658424) has the molecular formula C13H20N3+ and a molecular weight of 218.32 g/mol. Its IUPAC name is 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane
PubChem CID658424
Molecular FormulaC13H20N3+
Molecular Weight218.32 g/mol
Exact Mass218.17
IUPAC Name8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane
SMILESc1ccc(N2CC[N+]3(CCCC3)CC2)nc1
InChIInChI=1S/C13H20N3/c1-2-6-14-13(5-1)15-7-11-16(12-8-15)9-3-4-10-16/h1-2,5-6H,3-4,7-12H2/q+1
InChIKeyPDWBQXNXHUPCCT-UHFFFAOYSA-N
XLogP1.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane 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 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane?
The IUPAC name of 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane (CID 658424) is 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane.
What is the SMILES notation for 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane?
The canonical SMILES for 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane is c1ccc(N2CC[N+]3(CCCC3)CC2)nc1.
What is the InChIKey of 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane?
The InChIKey is PDWBQXNXHUPCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N3/c1-2-6-14-13(5-1)15-7-11-16(12-8-15)9-3-4-10-16/h1-2,5-6H,3-4,7-12H2/q+1.
What are the key properties of 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane?
8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane has a molecular weight of 218.32 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-2-yl-8-aza-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 658424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).