(2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide

C9H21IN2 — CID 156613159

IUPAC(2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide
SMILESCC1(C)CCCN([NH3+])C1(C)C.[I-]
InChIInChI=1S/C9H20N2.HI/c1-8(2)6-5-7-11(10)9(8,3)4;/h5-7,10H2,1-4H3;1H
InChIKeySPEHEZOKKXMAPV-UHFFFAOYSA-N
MW284.19 g/mol
LogP-1.95
Rot. Bonds

About (2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide

(2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide (PubChem CID 156613159) has the molecular formula C9H21IN2 and a molecular weight of 284.19 g/mol. Its IUPAC name is (2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide.

Molecular Properties

Compound Name(2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide
PubChem CID156613159
Molecular FormulaC9H21IN2
Molecular Weight284.19 g/mol
Exact Mass284.07
IUPAC Name(2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide
SMILESCC1(C)CCCN([NH3+])C1(C)C.[I-]
InChIInChI=1S/C9H20N2.HI/c1-8(2)6-5-7-11(10)9(8,3)4;/h5-7,10H2,1-4H3;1H
InChIKeySPEHEZOKKXMAPV-UHFFFAOYSA-N
XLogP-1.95
TPSA30.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide?
The IUPAC name of (2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide (CID 156613159) is (2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide.
What is the SMILES notation for (2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide?
The canonical SMILES for (2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide is CC1(C)CCCN([NH3+])C1(C)C.[I-].
What is the InChIKey of (2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide?
The InChIKey is SPEHEZOKKXMAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.HI/c1-8(2)6-5-7-11(10)9(8,3)4;/h5-7,10H2,1-4H3;1H.
What are the key properties of (2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide?
(2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide has a molecular weight of 284.19 g/mol, XLogP of -1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylpiperidin-1-yl)azanium iodide is sourced from PubChem (CID 156613159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).