1-[3-(2-ethoxyethoxy)propyl]pyrrolidine

C11H23NO2 — CID 58400633

IUPAC1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
SMILESCCOCCOCCCN1CCCC1
InChIInChI=1S/C11H23NO2/c1-2-13-10-11-14-9-5-8-12-6-3-4-7-12/h2-11H2,1H3
InChIKeyCFBOUIMIGXAPAY-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.53
Rot. Bonds8

About 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine

1-[3-(2-ethoxyethoxy)propyl]pyrrolidine (PubChem CID 58400633) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
PubChem CID58400633
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
SMILESCCOCCOCCCN1CCCC1
InChIInChI=1S/C11H23NO2/c1-2-13-10-11-14-9-5-8-12-6-3-4-7-12/h2-11H2,1H3
InChIKeyCFBOUIMIGXAPAY-UHFFFAOYSA-N
XLogP1.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032
1-(2-ethoxyethyl)piperidine
CID 22622871
1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide
CID 171081654
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane
CID 142597171
1-(3-ethoxypropyl)-N-methylpiperidin-4-amine
CID 43315421
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide
CID 142367464

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine?
The IUPAC name of 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine (CID 58400633) is 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine is CCOCCOCCCN1CCCC1.
What is the InChIKey of 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine?
The InChIKey is CFBOUIMIGXAPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-13-10-11-14-9-5-8-12-6-3-4-7-12/h2-11H2,1H3.
What are the key properties of 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine?
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyethoxy)propyl]pyrrolidine is sourced from PubChem (CID 58400633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).