1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine

C15H32N2O2 — CID 63628433

IUPAC1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCOC(CCN1CCC(N(CC)CC)C1)OCC
InChIInChI=1S/C15H32N2O2/c1-5-17(6-2)14-9-11-16(13-14)12-10-15(18-7-3)19-8-4/h14-15H,5-13H2,1-4H3
InChIKeyIRZAEGZDJMIPML-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.19
Rot. Bonds10

About 1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine

1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 63628433) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID63628433
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCOC(CCN1CCC(N(CC)CC)C1)OCC
InChIInChI=1S/C15H32N2O2/c1-5-17(6-2)14-9-11-16(13-14)12-10-15(18-7-3)19-8-4/h14-15H,5-13H2,1-4H3
InChIKeyIRZAEGZDJMIPML-UHFFFAOYSA-N
XLogP2.19
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.19
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-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine (CID 63628433) is 1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine is CCOC(CCN1CCC(N(CC)CC)C1)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is IRZAEGZDJMIPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-17(6-2)14-9-11-16(13-14)12-10-15(18-7-3)19-8-4/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine?
1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 272.43 g/mol, XLogP of 2.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63628433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).