8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione

C13H22N2O2 — CID 11746691

IUPAC8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESNCCCCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10,14H2
InChIKeyHBIPQBGTOAEBSV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.43
Rot. Bonds4

About 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione

8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11746691) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11746691
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESNCCCCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10,14H2
InChIKeyHBIPQBGTOAEBSV-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione (CID 11746691) is 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione is NCCCCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is HBIPQBGTOAEBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13/h1-10,14H2.
What are the key properties of 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 238.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11746691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).