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

C13H23ClN2O2 — CID 19019753

IUPAC8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
SMILESCl.NCCCCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H22N2O2.ClH/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13;/h1-10,14H2;1H
InChIKeyZBSCPWYAWATHHJ-UHFFFAOYSA-N
MW274.79 g/mol
LogP1.86
Rot. Bonds4

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

8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (PubChem CID 19019753) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.

Molecular Properties

Compound Name8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
PubChem CID19019753
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
SMILESCl.NCCCCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H22N2O2.ClH/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13;/h1-10,14H2;1H
InChIKeyZBSCPWYAWATHHJ-UHFFFAOYSA-N
XLogP1.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 51.86
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;hydrochloride?
The IUPAC name of 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride (CID 19019753) is 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.
What is the SMILES notation for 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The canonical SMILES for 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride is Cl.NCCCCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
The InChIKey is ZBSCPWYAWATHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c14-7-3-4-8-15-11(16)9-13(10-12(15)17)5-1-2-6-13;/h1-10,14H2;1H.
What are the key properties of 8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride?
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 1.86, 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;hydrochloride is sourced from PubChem (CID 19019753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).