1-(3-methoxybutyl)-3,3-dimethylpyrrolidine

C11H23NO — CID 145296395

IUPAC1-(3-methoxybutyl)-3,3-dimethylpyrrolidine
SMILESCOC(C)CCN1CCC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-10(13-4)5-7-12-8-6-11(2,3)9-12/h10H,5-9H2,1-4H3
InChIKeyDMKQEOMFKPFQLC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds4

About 1-(3-methoxybutyl)-3,3-dimethylpyrrolidine

1-(3-methoxybutyl)-3,3-dimethylpyrrolidine (PubChem CID 145296395) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(3-methoxybutyl)-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(3-methoxybutyl)-3,3-dimethylpyrrolidine
PubChem CID145296395
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(3-methoxybutyl)-3,3-dimethylpyrrolidine
SMILESCOC(C)CCN1CCC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-10(13-4)5-7-12-8-6-11(2,3)9-12/h10H,5-9H2,1-4H3
InChIKeyDMKQEOMFKPFQLC-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 1-(3-methoxybutyl)-3,3-dimethylpyrrolidine?
The IUPAC name of 1-(3-methoxybutyl)-3,3-dimethylpyrrolidine (CID 145296395) is 1-(3-methoxybutyl)-3,3-dimethylpyrrolidine.
What is the SMILES notation for 1-(3-methoxybutyl)-3,3-dimethylpyrrolidine?
The canonical SMILES for 1-(3-methoxybutyl)-3,3-dimethylpyrrolidine is COC(C)CCN1CCC(C)(C)C1.
What is the InChIKey of 1-(3-methoxybutyl)-3,3-dimethylpyrrolidine?
The InChIKey is DMKQEOMFKPFQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(13-4)5-7-12-8-6-11(2,3)9-12/h10H,5-9H2,1-4H3.
What are the key properties of 1-(3-methoxybutyl)-3,3-dimethylpyrrolidine?
1-(3-methoxybutyl)-3,3-dimethylpyrrolidine 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 1-(3-methoxybutyl)-3,3-dimethylpyrrolidine is sourced from PubChem (CID 145296395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).