(2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine

C8H17N — CID 58680653

IUPAC(2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine
SMILESC[C@H]1[C@@H](C)CN(C)[C@H]1C
InChIInChI=1S/C8H17N/c1-6-5-9(4)8(3)7(6)2/h6-8H,5H2,1-4H3/t6-,7-,8-/m0/s1
InChIKeyJJPMREHOZHHZSH-FXQIFTODSA-N
MW127.23 g/mol
LogP1.59
Rot. Bonds

About (2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine

(2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine (PubChem CID 58680653) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine.

Molecular Properties

Compound Name(2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine
PubChem CID58680653
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine
SMILESC[C@H]1[C@@H](C)CN(C)[C@H]1C
InChIInChI=1S/C8H17N/c1-6-5-9(4)8(3)7(6)2/h6-8H,5H2,1-4H3/t6-,7-,8-/m0/s1
InChIKeyJJPMREHOZHHZSH-FXQIFTODSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine?
The IUPAC name of (2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine (CID 58680653) is (2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine.
What is the SMILES notation for (2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine?
The canonical SMILES for (2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine is C[C@H]1[C@@H](C)CN(C)[C@H]1C.
What is the InChIKey of (2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine?
The InChIKey is JJPMREHOZHHZSH-FXQIFTODSA-N. The full InChI is InChI=1S/C8H17N/c1-6-5-9(4)8(3)7(6)2/h6-8H,5H2,1-4H3/t6-,7-,8-/m0/s1.
What are the key properties of (2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine?
(2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-1,2,3,4-tetramethylpyrrolidine is sourced from PubChem (CID 58680653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).