tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium

C22H47N2+ — CID 23591315

IUPACtributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium
SMILESCCCC[N+](CCCC)(CCCC)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C22H47N2/c1-9-12-15-24(16-13-10-2,17-14-11-3)20-18-21(4,5)23(8)22(6,7)19-20/h20H,9-19H2,1-8H3/q+1
InChIKeyAOBTYKNOGIKKQX-UHFFFAOYSA-N
MW339.63 g/mol
LogP5.85
Rot. Bonds10

About tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium

tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium (PubChem CID 23591315) has the molecular formula C22H47N2+ and a molecular weight of 339.63 g/mol. Its IUPAC name is tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium.

Molecular Properties

Compound Nametributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium
PubChem CID23591315
Molecular FormulaC22H47N2+
Molecular Weight339.63 g/mol
Exact Mass339.37
IUPAC Nametributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium
SMILESCCCC[N+](CCCC)(CCCC)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C22H47N2/c1-9-12-15-24(16-13-10-2,17-14-11-3)20-18-21(4,5)23(8)22(6,7)19-20/h20H,9-19H2,1-8H3/q+1
InChIKeyAOBTYKNOGIKKQX-UHFFFAOYSA-N
XLogP5.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.63
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium?
The IUPAC name of tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium (CID 23591315) is tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium.
What is the SMILES notation for tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium?
The canonical SMILES for tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium is CCCC[N+](CCCC)(CCCC)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium?
The InChIKey is AOBTYKNOGIKKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N2/c1-9-12-15-24(16-13-10-2,17-14-11-3)20-18-21(4,5)23(8)22(6,7)19-20/h20H,9-19H2,1-8H3/q+1.
What are the key properties of tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium?
tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium has a molecular weight of 339.63 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium is sourced from PubChem (CID 23591315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).