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

C11H25NO — CID 142009512

IUPACethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
SMILESCC.COCCN1CCC(C)(C)C1
InChIInChI=1S/C9H19NO.C2H6/c1-9(2)4-5-10(8-9)6-7-11-3;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyNSBIPHQOERDUFT-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.39
Rot. Bonds3

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

ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine (PubChem CID 142009512) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
PubChem CID142009512
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
SMILESCC.COCCN1CCC(C)(C)C1
InChIInChI=1S/C9H19NO.C2H6/c1-9(2)4-5-10(8-9)6-7-11-3;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyNSBIPHQOERDUFT-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;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine?
The IUPAC name of ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine (CID 142009512) is ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine.
What is the SMILES notation for ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine?
The canonical SMILES for ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine is CC.COCCN1CCC(C)(C)C1.
What is the InChIKey of ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine?
The InChIKey is NSBIPHQOERDUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-9(2)4-5-10(8-9)6-7-11-3;1-2/h4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine?
ethane;1-(2-methoxyethyl)-3,3-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;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine is sourced from PubChem (CID 142009512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).