2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione

C12H20N2O2 — CID 62642472

IUPAC2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESNCCCCN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c13-7-3-4-8-14-10(15)9-12(11(14)16)5-1-2-6-12/h1-9,13H2
InChIKeyWFMQAPZZRYKESH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.04
Rot. Bonds4

About 2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 62642472) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID62642472
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESNCCCCN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c13-7-3-4-8-14-10(15)9-12(11(14)16)5-1-2-6-12/h1-9,13H2
InChIKeyWFMQAPZZRYKESH-UHFFFAOYSA-N
XLogP1.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.04
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 2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 62642472) is 2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione is NCCCCN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is WFMQAPZZRYKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-7-3-4-8-14-10(15)9-12(11(14)16)5-1-2-6-12/h1-9,13H2.
What are the key properties of 2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 224.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 62642472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).