(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine

C13H27NO3 — CID 177319162

IUPAC(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine
SMILESCCCCN1CC[C@@H](OCCOCCOC)C1
InChIInChI=1S/C13H27NO3/c1-3-4-6-14-7-5-13(12-14)17-11-10-16-9-8-15-2/h13H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyJKSDOOOYCOPEEV-CYBMUJFWSA-N
MW245.36 g/mol
LogP1.54
Rot. Bonds10

About (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine

(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine (PubChem CID 177319162) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine.

Molecular Properties

Compound Name(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine
PubChem CID177319162
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine
SMILESCCCCN1CC[C@@H](OCCOCCOC)C1
InChIInChI=1S/C13H27NO3/c1-3-4-6-14-7-5-13(12-14)17-11-10-16-9-8-15-2/h13H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyJKSDOOOYCOPEEV-CYBMUJFWSA-N
XLogP1.54
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]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

3-pentoxy-1-pentylpyrrolidine
CID 67812349
ethane;4-(2-methoxyethoxy)-1-propylpiperidine
CID 156885231
(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
4-[2-(2-ethoxyethoxy)ethoxy]-1-propylpiperidine
CID 156885045
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
4-(2-methoxyethyl)-1-octylpiperidine
CID 134254922
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
CID 103413199
2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
CID 134580010
1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one
CID 164557491
4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine
CID 58623460

Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine?
The IUPAC name of (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine (CID 177319162) is (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine.
What is the SMILES notation for (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine?
The canonical SMILES for (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine is CCCCN1CC[C@@H](OCCOCCOC)C1.
What is the InChIKey of (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine?
The InChIKey is JKSDOOOYCOPEEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-4-6-14-7-5-13(12-14)17-11-10-16-9-8-15-2/h13H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine?
(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine has a molecular weight of 245.36 g/mol, XLogP of 1.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine is sourced from PubChem (CID 177319162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).