1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine

C14H28N2O2 — CID 54141378

IUPAC1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine
SMILESCCOC(OCC)C(N1CCCC1)N1CCCC1
InChIInChI=1S/C14H28N2O2/c1-3-17-14(18-4-2)13(15-9-5-6-10-15)16-11-7-8-12-16/h13-14H,3-12H2,1-2H3
InChIKeyOBIQARJJVRHZLY-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.90
Rot. Bonds7

About 1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine

1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine (PubChem CID 54141378) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine
PubChem CID54141378
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine
SMILESCCOC(OCC)C(N1CCCC1)N1CCCC1
InChIInChI=1S/C14H28N2O2/c1-3-17-14(18-4-2)13(15-9-5-6-10-15)16-11-7-8-12-16/h13-14H,3-12H2,1-2H3
InChIKeyOBIQARJJVRHZLY-UHFFFAOYSA-N
XLogP1.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine?
The IUPAC name of 1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine (CID 54141378) is 1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine.
What is the SMILES notation for 1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine?
The canonical SMILES for 1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine is CCOC(OCC)C(N1CCCC1)N1CCCC1.
What is the InChIKey of 1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine?
The InChIKey is OBIQARJJVRHZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-17-14(18-4-2)13(15-9-5-6-10-15)16-11-7-8-12-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine?
1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine has a molecular weight of 256.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine is sourced from PubChem (CID 54141378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).