2-(3-methoxypentan-3-yl)-1-methylpyrrolidine

C11H23NO — CID 89390542

IUPAC2-(3-methoxypentan-3-yl)-1-methylpyrrolidine
SMILESCCC(CC)(OC)C1CCCN1C
InChIInChI=1S/C11H23NO/c1-5-11(6-2,13-4)10-8-7-9-12(10)3/h10H,5-9H2,1-4H3
InChIKeyHVKMWBDBONIWTA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds4

About 2-(3-methoxypentan-3-yl)-1-methylpyrrolidine

2-(3-methoxypentan-3-yl)-1-methylpyrrolidine (PubChem CID 89390542) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(3-methoxypentan-3-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-methoxypentan-3-yl)-1-methylpyrrolidine
PubChem CID89390542
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(3-methoxypentan-3-yl)-1-methylpyrrolidine
SMILESCCC(CC)(OC)C1CCCN1C
InChIInChI=1S/C11H23NO/c1-5-11(6-2,13-4)10-8-7-9-12(10)3/h10H,5-9H2,1-4H3
InChIKeyHVKMWBDBONIWTA-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine
CID 10535976
(2S)-2-(1-Ethyl-1-methoxypropyl)-1-pyrrolidinamine
CID 2725041
(2S)-2-(1-Ethyl-1-methoxypropyl)pyrrolidine
CID 10931875
2-(2,2-Difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 130399562
(2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 159739796
1-(3-Fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine
CID 166984387
(2R,4S)-2-(ethoxymethyl)-4-fluoro-1-methyl-2-propylpyrrolidine
CID 168881027
(2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine
CID 171423052
(2S,4S)-4-(fluoromethyl)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 172177731
(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 175612151
(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 175612152
(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 175612199

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypentan-3-yl)-1-methylpyrrolidine?
The IUPAC name of 2-(3-methoxypentan-3-yl)-1-methylpyrrolidine (CID 89390542) is 2-(3-methoxypentan-3-yl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(3-methoxypentan-3-yl)-1-methylpyrrolidine?
The canonical SMILES for 2-(3-methoxypentan-3-yl)-1-methylpyrrolidine is CCC(CC)(OC)C1CCCN1C.
What is the InChIKey of 2-(3-methoxypentan-3-yl)-1-methylpyrrolidine?
The InChIKey is HVKMWBDBONIWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-11(6-2,13-4)10-8-7-9-12(10)3/h10H,5-9H2,1-4H3.
What are the key properties of 2-(3-methoxypentan-3-yl)-1-methylpyrrolidine?
2-(3-methoxypentan-3-yl)-1-methylpyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypentan-3-yl)-1-methylpyrrolidine is sourced from PubChem (CID 89390542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).