1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine

C12H25NO — CID 118615707

IUPAC1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine
SMILESCCN1CCCC1(COC)CC(C)C
InChIInChI=1S/C12H25NO/c1-5-13-8-6-7-12(13,10-14-4)9-11(2)3/h11H,5-10H2,1-4H3
InChIKeyHKDLWYVXBGSORG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About 1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine

1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 118615707) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID118615707
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine
SMILESCCN1CCCC1(COC)CC(C)C
InChIInChI=1S/C12H25NO/c1-5-13-8-6-7-12(13,10-14-4)9-11(2)3/h11H,5-10H2,1-4H3
InChIKeyHKDLWYVXBGSORG-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine (CID 118615707) is 1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine is CCN1CCCC1(COC)CC(C)C.
What is the InChIKey of 1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is HKDLWYVXBGSORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-13-8-6-7-12(13,10-14-4)9-11(2)3/h11H,5-10H2,1-4H3.
What are the key properties of 1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine?
1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 118615707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).