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

C14H24N2O2 — CID 62642476

IUPAC3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESNCCCCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C14H24N2O2/c15-8-4-5-9-16-12(17)10-14(11-13(16)18)6-2-1-3-7-14/h1-11,15H2
InChIKeyLAWXWAXYRCLEEU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.82
Rot. Bonds4

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

3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 62642476) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID62642476
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESNCCCCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C14H24N2O2/c15-8-4-5-9-16-12(17)10-14(11-13(16)18)6-2-1-3-7-14/h1-11,15H2
InChIKeyLAWXWAXYRCLEEU-UHFFFAOYSA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': '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 3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 62642476) is 3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione is NCCCCN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is LAWXWAXYRCLEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-8-4-5-9-16-12(17)10-14(11-13(16)18)6-2-1-3-7-14/h1-11,15H2.
What are the key properties of 3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione?
3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 252.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 62642476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).