3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride

C9H20ClNO2 — CID 56829885

IUPAC3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride
SMILESCCOCCOCC1CCNC1.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-2-11-5-6-12-8-9-3-4-10-7-9;/h9-10H,2-8H2,1H3;1H
InChIKeyHAELQRSUFAIEPB-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.07
Rot. Bonds6

About 3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride

3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride (PubChem CID 56829885) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride
PubChem CID56829885
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Name3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride
SMILESCCOCCOCC1CCNC1.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-2-11-5-6-12-8-9-3-4-10-7-9;/h9-10H,2-8H2,1H3;1H
InChIKeyHAELQRSUFAIEPB-UHFFFAOYSA-N
XLogP1.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.07
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

(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
3-(pentoxymethyl)pyrrolidine;hydrochloride
CID 53409474
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
3-(4-methoxybutoxymethyl)pyrrolidine
CID 104648277
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3R)-3-(2-fluoroethoxymethyl)pyrrolidine
CID 86320647
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
3-(cyclopropylmethoxymethoxymethyl)pyrrolidine
CID 106938116
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
3-(2-phenoxyethoxymethyl)pyrrolidine
CID 56829876
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
CID 112587717

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride (CID 56829885) is 3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride is CCOCCOCC1CCNC1.Cl.
What is the InChIKey of 3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride?
The InChIKey is HAELQRSUFAIEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-2-11-5-6-12-8-9-3-4-10-7-9;/h9-10H,2-8H2,1H3;1H.
What are the key properties of 3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride?
3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 56829885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).