2-ethyl-1,4-dimethylpyrrolidine

C8H17N — CID 22981539

IUPAC2-ethyl-1,4-dimethylpyrrolidine
SMILESCCC1CC(C)CN1C
InChIInChI=1S/C8H17N/c1-4-8-5-7(2)6-9(8)3/h7-8H,4-6H2,1-3H3
InChIKeyPKKSLYCYJFNJGH-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.74
Rot. Bonds1

About 2-ethyl-1,4-dimethylpyrrolidine

2-ethyl-1,4-dimethylpyrrolidine (PubChem CID 22981539) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-ethyl-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-1,4-dimethylpyrrolidine
PubChem CID22981539
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-ethyl-1,4-dimethylpyrrolidine
SMILESCCC1CC(C)CN1C
InChIInChI=1S/C8H17N/c1-4-8-5-7(2)6-9(8)3/h7-8H,4-6H2,1-3H3
InChIKeyPKKSLYCYJFNJGH-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-dimethylpyrrolidine?
The IUPAC name of 2-ethyl-1,4-dimethylpyrrolidine (CID 22981539) is 2-ethyl-1,4-dimethylpyrrolidine.
What is the SMILES notation for 2-ethyl-1,4-dimethylpyrrolidine?
The canonical SMILES for 2-ethyl-1,4-dimethylpyrrolidine is CCC1CC(C)CN1C.
What is the InChIKey of 2-ethyl-1,4-dimethylpyrrolidine?
The InChIKey is PKKSLYCYJFNJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-4-8-5-7(2)6-9(8)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1,4-dimethylpyrrolidine?
2-ethyl-1,4-dimethylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-dimethylpyrrolidine is sourced from PubChem (CID 22981539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).