8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane

C13H20N3+ — CID 24758608

IUPAC8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane
SMILESc1cncc(N2CC[N+]3(CCCC3)CC2)c1
InChIInChI=1S/C13H20N3/c1-2-9-16(8-1)10-6-15(7-11-16)13-4-3-5-14-12-13/h3-5,12H,1-2,6-11H2/q+1
InChIKeyPQXNHRJOVYAJQW-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.51
Rot. Bonds1

About 8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane

8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane (PubChem CID 24758608) has the molecular formula C13H20N3+ and a molecular weight of 218.32 g/mol. Its IUPAC name is 8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane
PubChem CID24758608
Molecular FormulaC13H20N3+
Molecular Weight218.32 g/mol
Exact Mass218.17
IUPAC Name8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane
SMILESc1cncc(N2CC[N+]3(CCCC3)CC2)c1
InChIInChI=1S/C13H20N3/c1-2-9-16(8-1)10-6-15(7-11-16)13-4-3-5-14-12-13/h3-5,12H,1-2,6-11H2/q+1
InChIKeyPQXNHRJOVYAJQW-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-3-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

Related Compounds

(4-pyridin-3-ylpiperazin-1-yl)phosphane
CID 21025744
ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
1-ethyl-4-pyridin-3-yl-1,4-diazepane
CID 22478498
[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]azanium;hydroxide;hydrate
CID 159789123
(1-pyridin-3-ylpiperidin-4-yl) hypochlorite
CID 174467060
1-pyridin-3-ylpiperidine-4-carbonitrile
CID 71721220
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
CID 175933789
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417
1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane
CID 22639462
(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile
CID 86336417
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569

Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane?
The IUPAC name of 8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane (CID 24758608) is 8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane.
What is the SMILES notation for 8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane?
The canonical SMILES for 8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane is c1cncc(N2CC[N+]3(CCCC3)CC2)c1.
What is the InChIKey of 8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane?
The InChIKey is PQXNHRJOVYAJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N3/c1-2-9-16(8-1)10-6-15(7-11-16)13-4-3-5-14-12-13/h3-5,12H,1-2,6-11H2/q+1.
What are the key properties of 8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane?
8-pyridin-3-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-3-yl-8-aza-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 24758608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).