(2S,4R)-2,4-dimethylpyrrolidine

C6H13N — CID 23279028

IUPAC(2S,4R)-2,4-dimethylpyrrolidine
SMILESC[C@H]1CN[C@@H](C)C1
InChIInChI=1S/C6H13N/c1-5-3-6(2)7-4-5/h5-7H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyDUOJVRWFIHNZTJ-RITPCOANSA-N
MW99.18 g/mol
LogP1.00
Rot. Bonds

About (2S,4R)-2,4-dimethylpyrrolidine

(2S,4R)-2,4-dimethylpyrrolidine (PubChem CID 23279028) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (2S,4R)-2,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-2,4-dimethylpyrrolidine
PubChem CID23279028
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(2S,4R)-2,4-dimethylpyrrolidine
SMILESC[C@H]1CN[C@@H](C)C1
InChIInChI=1S/C6H13N/c1-5-3-6(2)7-4-5/h5-7H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyDUOJVRWFIHNZTJ-RITPCOANSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-dimethylpyrrolidine?
The IUPAC name of (2S,4R)-2,4-dimethylpyrrolidine (CID 23279028) is (2S,4R)-2,4-dimethylpyrrolidine.
What is the SMILES notation for (2S,4R)-2,4-dimethylpyrrolidine?
The canonical SMILES for (2S,4R)-2,4-dimethylpyrrolidine is C[C@H]1CN[C@@H](C)C1.
What is the InChIKey of (2S,4R)-2,4-dimethylpyrrolidine?
The InChIKey is DUOJVRWFIHNZTJ-RITPCOANSA-N. The full InChI is InChI=1S/C6H13N/c1-5-3-6(2)7-4-5/h5-7H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-2,4-dimethylpyrrolidine?
(2S,4R)-2,4-dimethylpyrrolidine has a molecular weight of 99.18 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-dimethylpyrrolidine is sourced from PubChem (CID 23279028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).