1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine

C13H27NO3 — CID 64599400

IUPAC1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine
SMILESCCOC(CCN1CCC(COC)C1)OCC
InChIInChI=1S/C13H27NO3/c1-4-16-13(17-5-2)7-9-14-8-6-12(10-14)11-15-3/h12-13H,4-11H2,1-3H3
InChIKeyPYBSOARCYVBHJZ-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.74
Rot. Bonds9

About 1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine

1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine (PubChem CID 64599400) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine
PubChem CID64599400
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine
SMILESCCOC(CCN1CCC(COC)C1)OCC
InChIInChI=1S/C13H27NO3/c1-4-16-13(17-5-2)7-9-14-8-6-12(10-14)11-15-3/h12-13H,4-11H2,1-3H3
InChIKeyPYBSOARCYVBHJZ-UHFFFAOYSA-N
XLogP1.74
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-Diethoxypropyl)pyrrolidine
CID 3783360
1-(4,4-Diethoxybutyl)pyrrolidine
CID 57067774
N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 18723539
2,5-Dimethoxy-3-dimethylaminomethyltetrahydrofuran
CID 20158836
1-[(2,5-Dimethoxyoxolan-3-yl)methyl]piperidine
CID 20158837
N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 22975527
1-(4,4-Dimethoxybutyl)pyrrolidine
CID 23374598
1-[1-(1-Butoxyethoxy)ethyl]pyrrolidine
CID 68590288
1-[3-(1-Methoxypropoxy)propyl]pyrrolidine
CID 117649689
(3R)-3-[ethoxy(methoxy)methyl]pyrrolidine
CID 134582855
N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-ethylethanamine
CID 154231344
1-[(2-Methyl-1,3-dioxan-5-yl)methyl]pyrrolidine
CID 166659338

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine (CID 64599400) is 1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine is CCOC(CCN1CCC(COC)C1)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine?
The InChIKey is PYBSOARCYVBHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-16-13(17-5-2)7-9-14-8-6-12(10-14)11-15-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine?
1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine has a molecular weight of 245.36 g/mol, XLogP of 1.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 64599400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).