2,2,5,5-tetramethylpyrrolidine;hydrate

C8H19NO — CID 174311218

IUPAC2,2,5,5-tetramethylpyrrolidine;hydrate
SMILESCC1(C)CCC(C)(C)N1.O
InChIInChI=1S/C8H17N.H2O/c1-7(2)5-6-8(3,4)9-7;/h9H,5-6H2,1-4H3;1H2
InChIKeyDLXFRJGZVZATHM-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.10
Rot. Bonds

About 2,2,5,5-tetramethylpyrrolidine;hydrate

2,2,5,5-tetramethylpyrrolidine;hydrate (PubChem CID 174311218) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2,2,5,5-tetramethylpyrrolidine;hydrate.

Molecular Properties

Compound Name2,2,5,5-tetramethylpyrrolidine;hydrate
PubChem CID174311218
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2,2,5,5-tetramethylpyrrolidine;hydrate
SMILESCC1(C)CCC(C)(C)N1.O
InChIInChI=1S/C8H17N.H2O/c1-7(2)5-6-8(3,4)9-7;/h9H,5-6H2,1-4H3;1H2
InChIKeyDLXFRJGZVZATHM-UHFFFAOYSA-N
XLogP1.10
TPSA43.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethylpyrrolidine;hydrate?
The IUPAC name of 2,2,5,5-tetramethylpyrrolidine;hydrate (CID 174311218) is 2,2,5,5-tetramethylpyrrolidine;hydrate.
What is the SMILES notation for 2,2,5,5-tetramethylpyrrolidine;hydrate?
The canonical SMILES for 2,2,5,5-tetramethylpyrrolidine;hydrate is CC1(C)CCC(C)(C)N1.O.
What is the InChIKey of 2,2,5,5-tetramethylpyrrolidine;hydrate?
The InChIKey is DLXFRJGZVZATHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.H2O/c1-7(2)5-6-8(3,4)9-7;/h9H,5-6H2,1-4H3;1H2.
What are the key properties of 2,2,5,5-tetramethylpyrrolidine;hydrate?
2,2,5,5-tetramethylpyrrolidine;hydrate has a molecular weight of 145.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethylpyrrolidine;hydrate is sourced from PubChem (CID 174311218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).