2-(4-methoxybutoxymethyl)pyrrolidine

C10H21NO2 — CID 104648269

IUPAC2-(4-methoxybutoxymethyl)pyrrolidine
SMILESCOCCCCOCC1CCCN1
InChIInChI=1S/C10H21NO2/c1-12-7-2-3-8-13-9-10-5-4-6-11-10/h10-11H,2-9H2,1H3
InChIKeyCAIRPLIXCMJMPH-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds7

About 2-(4-methoxybutoxymethyl)pyrrolidine

2-(4-methoxybutoxymethyl)pyrrolidine (PubChem CID 104648269) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(4-methoxybutoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-methoxybutoxymethyl)pyrrolidine
PubChem CID104648269
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(4-methoxybutoxymethyl)pyrrolidine
SMILESCOCCCCOCC1CCCN1
InChIInChI=1S/C10H21NO2/c1-12-7-2-3-8-13-9-10-5-4-6-11-10/h10-11H,2-9H2,1H3
InChIKeyCAIRPLIXCMJMPH-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[3-(2-methoxyethoxy)propoxymethyl]pyrrolidine
CID 103402661
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
CID 145216939
2-(3,3-dimethylbutoxymethyl)pyrrolidine
CID 62335099
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 115514545
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
(2R)-2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 102820223
2-(2-propoxyethoxymethyl)piperidine
CID 63684377
(2R)-2-(methoxymethyl)pyrrolidine;molecular hydrogen;propane
CID 143635962
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506
(2R)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 102820123

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutoxymethyl)pyrrolidine?
The IUPAC name of 2-(4-methoxybutoxymethyl)pyrrolidine (CID 104648269) is 2-(4-methoxybutoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(4-methoxybutoxymethyl)pyrrolidine?
The canonical SMILES for 2-(4-methoxybutoxymethyl)pyrrolidine is COCCCCOCC1CCCN1.
What is the InChIKey of 2-(4-methoxybutoxymethyl)pyrrolidine?
The InChIKey is CAIRPLIXCMJMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-12-7-2-3-8-13-9-10-5-4-6-11-10/h10-11H,2-9H2,1H3.
What are the key properties of 2-(4-methoxybutoxymethyl)pyrrolidine?
2-(4-methoxybutoxymethyl)pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutoxymethyl)pyrrolidine is sourced from PubChem (CID 104648269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).