2,2,5,5-tetramethylpyrrolidin-1-ium chloride

C8H18ClN — CID 3014298

IUPAC2,2,5,5-tetramethylpyrrolidin-1-ium chloride
SMILESCC1(C)CCC(C)(C)[NH2+]1.[Cl-]
InChIInChI=1S/C8H17N.ClH/c1-7(2)5-6-8(3,4)9-7;/h9H,5-6H2,1-4H3;1H
InChIKeyJXQCNIIUUHSGMK-UHFFFAOYSA-N
MW163.69 g/mol
LogP-2.10
Rot. Bonds

About 2,2,5,5-tetramethylpyrrolidin-1-ium chloride

2,2,5,5-tetramethylpyrrolidin-1-ium chloride (PubChem CID 3014298) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 2,2,5,5-tetramethylpyrrolidin-1-ium chloride.

Molecular Properties

Compound Name2,2,5,5-tetramethylpyrrolidin-1-ium chloride
PubChem CID3014298
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name2,2,5,5-tetramethylpyrrolidin-1-ium chloride
SMILESCC1(C)CCC(C)(C)[NH2+]1.[Cl-]
InChIInChI=1S/C8H17N.ClH/c1-7(2)5-6-8(3,4)9-7;/h9H,5-6H2,1-4H3;1H
InChIKeyJXQCNIIUUHSGMK-UHFFFAOYSA-N
XLogP-2.10
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 5-2.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethylpyrrolidin-1-ium chloride?
The IUPAC name of 2,2,5,5-tetramethylpyrrolidin-1-ium chloride (CID 3014298) is 2,2,5,5-tetramethylpyrrolidin-1-ium chloride.
What is the SMILES notation for 2,2,5,5-tetramethylpyrrolidin-1-ium chloride?
The canonical SMILES for 2,2,5,5-tetramethylpyrrolidin-1-ium chloride is CC1(C)CCC(C)(C)[NH2+]1.[Cl-].
What is the InChIKey of 2,2,5,5-tetramethylpyrrolidin-1-ium chloride?
The InChIKey is JXQCNIIUUHSGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-7(2)5-6-8(3,4)9-7;/h9H,5-6H2,1-4H3;1H.
What are the key properties of 2,2,5,5-tetramethylpyrrolidin-1-ium chloride?
2,2,5,5-tetramethylpyrrolidin-1-ium chloride has a molecular weight of 163.69 g/mol, XLogP of -2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethylpyrrolidin-1-ium chloride is sourced from PubChem (CID 3014298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).