1-butyl-2-ethyl-2-methylpyrrolidine

C11H23N — CID 69498130

IUPAC1-butyl-2-ethyl-2-methylpyrrolidine
SMILESCCCCN1CCCC1(C)CC
InChIInChI=1S/C11H23N/c1-4-6-9-12-10-7-8-11(12,3)5-2/h4-10H2,1-3H3
InChIKeyLYULLLLMCRHQMY-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds4

About 1-butyl-2-ethyl-2-methylpyrrolidine

1-butyl-2-ethyl-2-methylpyrrolidine (PubChem CID 69498130) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-butyl-2-ethyl-2-methylpyrrolidine.

Molecular Properties

Compound Name1-butyl-2-ethyl-2-methylpyrrolidine
PubChem CID69498130
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-butyl-2-ethyl-2-methylpyrrolidine
SMILESCCCCN1CCCC1(C)CC
InChIInChI=1S/C11H23N/c1-4-6-9-12-10-7-8-11(12,3)5-2/h4-10H2,1-3H3
InChIKeyLYULLLLMCRHQMY-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethyl-2-methylpyrrolidine?
The IUPAC name of 1-butyl-2-ethyl-2-methylpyrrolidine (CID 69498130) is 1-butyl-2-ethyl-2-methylpyrrolidine.
What is the SMILES notation for 1-butyl-2-ethyl-2-methylpyrrolidine?
The canonical SMILES for 1-butyl-2-ethyl-2-methylpyrrolidine is CCCCN1CCCC1(C)CC.
What is the InChIKey of 1-butyl-2-ethyl-2-methylpyrrolidine?
The InChIKey is LYULLLLMCRHQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-6-9-12-10-7-8-11(12,3)5-2/h4-10H2,1-3H3.
What are the key properties of 1-butyl-2-ethyl-2-methylpyrrolidine?
1-butyl-2-ethyl-2-methylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethyl-2-methylpyrrolidine is sourced from PubChem (CID 69498130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).