3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione

C14H23N3O2 — CID 107358074

IUPAC3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCCN(C1CC2CCC(C1)N2)C1CC(=O)N(C)C1=O
InChIInChI=1S/C14H23N3O2/c1-3-17(12-8-13(18)16(2)14(12)19)11-6-9-4-5-10(7-11)15-9/h9-12,15H,3-8H2,1-2H3
InChIKeyWXCNIQHJKKRSJD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.35
Rot. Bonds3

About 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione

3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 107358074) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID107358074
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCCN(C1CC2CCC(C1)N2)C1CC(=O)N(C)C1=O
InChIInChI=1S/C14H23N3O2/c1-3-17(12-8-13(18)16(2)14(12)19)11-6-9-4-5-10(7-11)15-9/h9-12,15H,3-8H2,1-2H3
InChIKeyWXCNIQHJKKRSJD-UHFFFAOYSA-N
XLogP0.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione (CID 107358074) is 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione is CCN(C1CC2CCC(C1)N2)C1CC(=O)N(C)C1=O.
What is the InChIKey of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is WXCNIQHJKKRSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17(12-8-13(18)16(2)14(12)19)11-6-9-4-5-10(7-11)15-9/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione?
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 265.36 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107358074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).