3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one

C13H25N3O2 — CID 114128162

IUPAC3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCN(C)CCOCCN1CNC2(CCCC2)C1=O
InChIInChI=1S/C13H25N3O2/c1-15(2)7-9-18-10-8-16-11-14-13(12(16)17)5-3-4-6-13/h14H,3-11H2,1-2H3
InChIKeyMRZCCMNSFUYWKP-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.27
Rot. Bonds6

About 3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one

3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 114128162) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID114128162
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCN(C)CCOCCN1CNC2(CCCC2)C1=O
InChIInChI=1S/C13H25N3O2/c1-15(2)7-9-18-10-8-16-11-14-13(12(16)17)5-3-4-6-13/h14H,3-11H2,1-2H3
InChIKeyMRZCCMNSFUYWKP-UHFFFAOYSA-N
XLogP0.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one (CID 114128162) is 3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one is CN(C)CCOCCN1CNC2(CCCC2)C1=O.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is MRZCCMNSFUYWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15(2)7-9-18-10-8-16-11-14-13(12(16)17)5-3-4-6-13/h14H,3-11H2,1-2H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 255.36 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 114128162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).