2,2,4,4-tetramethylpyrrolidine

C8H17N — CID 12792259

IUPAC2,2,4,4-tetramethylpyrrolidine
SMILESCC1(C)CNC(C)(C)C1
InChIInChI=1S/C8H17N/c1-7(2)5-8(3,4)9-6-7/h9H,5-6H2,1-4H3
InChIKeyFZIVTGCLMQWUJT-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds

About 2,2,4,4-tetramethylpyrrolidine

2,2,4,4-tetramethylpyrrolidine (PubChem CID 12792259) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpyrrolidine.

Molecular Properties

Compound Name2,2,4,4-tetramethylpyrrolidine
PubChem CID12792259
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2,2,4,4-tetramethylpyrrolidine
SMILESCC1(C)CNC(C)(C)C1
InChIInChI=1S/C8H17N/c1-7(2)5-8(3,4)9-6-7/h9H,5-6H2,1-4H3
InChIKeyFZIVTGCLMQWUJT-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylpyrrolidine?
The IUPAC name of 2,2,4,4-tetramethylpyrrolidine (CID 12792259) is 2,2,4,4-tetramethylpyrrolidine.
What is the SMILES notation for 2,2,4,4-tetramethylpyrrolidine?
The canonical SMILES for 2,2,4,4-tetramethylpyrrolidine is CC1(C)CNC(C)(C)C1.
What is the InChIKey of 2,2,4,4-tetramethylpyrrolidine?
The InChIKey is FZIVTGCLMQWUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)5-8(3,4)9-6-7/h9H,5-6H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethylpyrrolidine?
2,2,4,4-tetramethylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpyrrolidine is sourced from PubChem (CID 12792259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).