ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine

C11H25NO — CID 142151943

IUPACethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine
SMILESCC.CCOCC1C(C)CCN1C
InChIInChI=1S/C9H19NO.C2H6/c1-4-11-7-9-8(2)5-6-10(9)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyDRLXGGIFIBMUAL-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.39
Rot. Bonds3

About ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine

ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine (PubChem CID 142151943) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine.

Molecular Properties

Compound Nameethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine
PubChem CID142151943
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine
SMILESCC.CCOCC1C(C)CCN1C
InChIInChI=1S/C9H19NO.C2H6/c1-4-11-7-9-8(2)5-6-10(9)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyDRLXGGIFIBMUAL-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine?
The IUPAC name of ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine (CID 142151943) is ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine.
What is the SMILES notation for ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine?
The canonical SMILES for ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine is CC.CCOCC1C(C)CCN1C.
What is the InChIKey of ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine?
The InChIKey is DRLXGGIFIBMUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-4-11-7-9-8(2)5-6-10(9)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine?
ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine has a molecular weight of 187.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine is sourced from PubChem (CID 142151943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).