3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine

C12H25NO — CID 62763265

IUPAC3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCOCCC1(C)CCNC1CC(C)C
InChIInChI=1S/C12H25NO/c1-10(2)9-11-12(3,5-7-13-11)6-8-14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyUHHGVQCSMLGYRI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds5

About 3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine

3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 62763265) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
PubChem CID62763265
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCOCCC1(C)CCNC1CC(C)C
InChIInChI=1S/C12H25NO/c1-10(2)9-11-12(3,5-7-13-11)6-8-14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyUHHGVQCSMLGYRI-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine (CID 62763265) is 3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine is COCCC1(C)CCNC1CC(C)C.
What is the InChIKey of 3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is UHHGVQCSMLGYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)9-11-12(3,5-7-13-11)6-8-14-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-3-methyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 62763265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).