4-ethyl-1,3,3-trimethylpyrrolidine

C9H19N — CID 58944822

IUPAC4-ethyl-1,3,3-trimethylpyrrolidine
SMILESCCC1CN(C)CC1(C)C
InChIInChI=1S/C9H19N/c1-5-8-6-10(4)7-9(8,2)3/h8H,5-7H2,1-4H3
InChIKeyACUAPEYZBMVHIJ-UHFFFAOYSA-N
MW141.26 g/mol
LogP1.98
Rot. Bonds1

About 4-ethyl-1,3,3-trimethylpyrrolidine

4-ethyl-1,3,3-trimethylpyrrolidine (PubChem CID 58944822) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 4-ethyl-1,3,3-trimethylpyrrolidine.

Molecular Properties

Compound Name4-ethyl-1,3,3-trimethylpyrrolidine
PubChem CID58944822
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name4-ethyl-1,3,3-trimethylpyrrolidine
SMILESCCC1CN(C)CC1(C)C
InChIInChI=1S/C9H19N/c1-5-8-6-10(4)7-9(8,2)3/h8H,5-7H2,1-4H3
InChIKeyACUAPEYZBMVHIJ-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,3-trimethylpyrrolidine?
The IUPAC name of 4-ethyl-1,3,3-trimethylpyrrolidine (CID 58944822) is 4-ethyl-1,3,3-trimethylpyrrolidine.
What is the SMILES notation for 4-ethyl-1,3,3-trimethylpyrrolidine?
The canonical SMILES for 4-ethyl-1,3,3-trimethylpyrrolidine is CCC1CN(C)CC1(C)C.
What is the InChIKey of 4-ethyl-1,3,3-trimethylpyrrolidine?
The InChIKey is ACUAPEYZBMVHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-8-6-10(4)7-9(8,2)3/h8H,5-7H2,1-4H3.
What are the key properties of 4-ethyl-1,3,3-trimethylpyrrolidine?
4-ethyl-1,3,3-trimethylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3,3-trimethylpyrrolidine is sourced from PubChem (CID 58944822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).