(3R)-1-ethyl-3,4-dimethylpyrrolidine

C8H17N — CID 144761230

IUPAC(3R)-1-ethyl-3,4-dimethylpyrrolidine
SMILESCCN1CC(C)[C@@H](C)C1
InChIInChI=1S/C8H17N/c1-4-9-5-7(2)8(3)6-9/h7-8H,4-6H2,1-3H3/t7-,8?/m0/s1
InChIKeyHQWQXWLXLYUDSI-JAMMHHFISA-N
MW127.23 g/mol
LogP1.59
Rot. Bonds1

About (3R)-1-ethyl-3,4-dimethylpyrrolidine

(3R)-1-ethyl-3,4-dimethylpyrrolidine (PubChem CID 144761230) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3R)-1-ethyl-3,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(3R)-1-ethyl-3,4-dimethylpyrrolidine
PubChem CID144761230
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3R)-1-ethyl-3,4-dimethylpyrrolidine
SMILESCCN1CC(C)[C@@H](C)C1
InChIInChI=1S/C8H17N/c1-4-9-5-7(2)8(3)6-9/h7-8H,4-6H2,1-3H3/t7-,8?/m0/s1
InChIKeyHQWQXWLXLYUDSI-JAMMHHFISA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 (3R)-1-ethyl-3,4-dimethylpyrrolidine?
The IUPAC name of (3R)-1-ethyl-3,4-dimethylpyrrolidine (CID 144761230) is (3R)-1-ethyl-3,4-dimethylpyrrolidine.
What is the SMILES notation for (3R)-1-ethyl-3,4-dimethylpyrrolidine?
The canonical SMILES for (3R)-1-ethyl-3,4-dimethylpyrrolidine is CCN1CC(C)[C@@H](C)C1.
What is the InChIKey of (3R)-1-ethyl-3,4-dimethylpyrrolidine?
The InChIKey is HQWQXWLXLYUDSI-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17N/c1-4-9-5-7(2)8(3)6-9/h7-8H,4-6H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of (3R)-1-ethyl-3,4-dimethylpyrrolidine?
(3R)-1-ethyl-3,4-dimethylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3,4-dimethylpyrrolidine is sourced from PubChem (CID 144761230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).