3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione

C13H22N2O2 — CID 55228574

IUPAC3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC(N)CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-10(14)9-15-11(16)7-13(8-12(15)17)5-3-2-4-6-13/h10H,2-9,14H2,1H3
InChIKeyAHUPLGWDSPINQC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.43
Rot. Bonds2

About 3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione

3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 55228574) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID55228574
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC(N)CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-10(14)9-15-11(16)7-13(8-12(15)17)5-3-2-4-6-13/h10H,2-9,14H2,1H3
InChIKeyAHUPLGWDSPINQC-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 55228574) is 3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione is CC(N)CN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is AHUPLGWDSPINQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(14)9-15-11(16)7-13(8-12(15)17)5-3-2-4-6-13/h10H,2-9,14H2,1H3.
What are the key properties of 3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione?
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 55228574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).