4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine

C11H23NO — CID 89385791

IUPAC4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
SMILESCCOCC1CC(C)N(C(C)C)C1
InChIInChI=1S/C11H23NO/c1-5-13-8-11-6-10(4)12(7-11)9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyXZKISSPXQWUYME-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds4

About 4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine

4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine (PubChem CID 89385791) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
PubChem CID89385791
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
SMILESCCOCC1CC(C)N(C(C)C)C1
InChIInChI=1S/C11H23NO/c1-5-13-8-11-6-10(4)12(7-11)9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyXZKISSPXQWUYME-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine (CID 89385791) is 4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine is CCOCC1CC(C)N(C(C)C)C1.
What is the InChIKey of 4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is XZKISSPXQWUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-13-8-11-6-10(4)12(7-11)9(2)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine?
4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 89385791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).