8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

C15H26N2O4 — CID 165344828

IUPAC8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN(CCO)CCO
InChIInChI=1S/C15H26N2O4/c18-9-7-16(8-10-19)5-6-17-13(20)11-15(12-14(17)21)3-1-2-4-15/h18-19H,1-12H2
InChIKeyQSNLVYBXXIBBHS-UHFFFAOYSA-N
MW298.38 g/mol
LogP-0.02
Rot. Bonds7

About 8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 165344828) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID165344828
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN(CCO)CCO
InChIInChI=1S/C15H26N2O4/c18-9-7-16(8-10-19)5-6-17-13(20)11-15(12-14(17)21)3-1-2-4-15/h18-19H,1-12H2
InChIKeyQSNLVYBXXIBBHS-UHFFFAOYSA-N
XLogP-0.02
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid
CID 43804742
3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489526
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691
3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 62642476
3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 115455509
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 139959182
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014
8-[2-(2-hydroxypropylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 104594510
8-[2-ethyl-2-(hydroxymethyl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 106253808

Frequently Asked Questions

What is the IUPAC name of 8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 165344828) is 8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCN(CCO)CCO.
What is the InChIKey of 8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is QSNLVYBXXIBBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-9-7-16(8-10-19)5-6-17-13(20)11-15(12-14(17)21)3-1-2-4-15/h18-19H,1-12H2.
What are the key properties of 8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 298.38 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 165344828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).