2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione

C14H24N2O2 — CID 62092760

IUPAC2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCC(CCN)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-11(6-9-15)16-12(17)10-14(13(16)18)7-4-2-3-5-8-14/h11H,2-10,15H2,1H3
InChIKeyIRDILLIRDJVQLP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.82
Rot. Bonds3

About 2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione

2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 62092760) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID62092760
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCC(CCN)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-11(6-9-15)16-12(17)10-14(13(16)18)7-4-2-3-5-8-14/h11H,2-10,15H2,1H3
InChIKeyIRDILLIRDJVQLP-UHFFFAOYSA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.82
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 2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione (CID 62092760) is 2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione is CC(CCN)N1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is IRDILLIRDJVQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(6-9-15)16-12(17)10-14(13(16)18)7-4-2-3-5-8-14/h11H,2-10,15H2,1H3.
What are the key properties of 2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione?
2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 252.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 62092760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).