3-ethyl-3-(2-methylbutyl)pyrrolidine

C11H23N — CID 62352988

IUPAC3-ethyl-3-(2-methylbutyl)pyrrolidine
SMILESCCC(C)CC1(CC)CCNC1
InChIInChI=1S/C11H23N/c1-4-10(3)8-11(5-2)6-7-12-9-11/h10,12H,4-9H2,1-3H3
InChIKeyGVOUFIBKNIINLK-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds4

About 3-ethyl-3-(2-methylbutyl)pyrrolidine

3-ethyl-3-(2-methylbutyl)pyrrolidine (PubChem CID 62352988) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name3-ethyl-3-(2-methylbutyl)pyrrolidine
PubChem CID62352988
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-ethyl-3-(2-methylbutyl)pyrrolidine
SMILESCCC(C)CC1(CC)CCNC1
InChIInChI=1S/C11H23N/c1-4-10(3)8-11(5-2)6-7-12-9-11/h10,12H,4-9H2,1-3H3
InChIKeyGVOUFIBKNIINLK-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylbutyl)pyrrolidine?
The IUPAC name of 3-ethyl-3-(2-methylbutyl)pyrrolidine (CID 62352988) is 3-ethyl-3-(2-methylbutyl)pyrrolidine.
What is the SMILES notation for 3-ethyl-3-(2-methylbutyl)pyrrolidine?
The canonical SMILES for 3-ethyl-3-(2-methylbutyl)pyrrolidine is CCC(C)CC1(CC)CCNC1.
What is the InChIKey of 3-ethyl-3-(2-methylbutyl)pyrrolidine?
The InChIKey is GVOUFIBKNIINLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-10(3)8-11(5-2)6-7-12-9-11/h10,12H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-methylbutyl)pyrrolidine?
3-ethyl-3-(2-methylbutyl)pyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylbutyl)pyrrolidine is sourced from PubChem (CID 62352988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).