2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium

C15H31N3O3+2 — CID 7437314

IUPAC2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium
SMILESCC[NH+](CC)CC[NH2+]CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29N3O3/c1-3-17(4-2)10-7-16-13-14(19)18-8-5-15(6-9-18)20-11-12-21-15/h16H,3-13H2,1-2H3/p+2
InChIKeyRUJWFMYDGATJKG-UHFFFAOYSA-P
MW301.43 g/mol
LogP-2.16
Rot. Bonds7

About 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium

2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium (PubChem CID 7437314) has the molecular formula C15H31N3O3+2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium
PubChem CID7437314
Molecular FormulaC15H31N3O3+2
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium
SMILESCC[NH+](CC)CC[NH2+]CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29N3O3/c1-3-17(4-2)10-7-16-13-14(19)18-8-5-15(6-9-18)20-11-12-21-15/h16H,3-13H2,1-2H3/p+2
InChIKeyRUJWFMYDGATJKG-UHFFFAOYSA-P
XLogP-2.16
TPSA59.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 5-2.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium with MolForge

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Related Compounds

2-(Cyclohexylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 1439903
n-Isopropyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34225220
N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 51077599
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 53515249
N-ethyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide
CID 71923201
N-(2-cyanoethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34227225
N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 45808278
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)acetamide
CID 52263114
n-(2-Methoxyethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 53525519
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60506864
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 112725276
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(ethylcarbamoyl)acetamide
CID 35425630

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium?
The IUPAC name of 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium (CID 7437314) is 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium.
What is the SMILES notation for 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium?
The canonical SMILES for 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium is CC[NH+](CC)CC[NH2+]CC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium?
The InChIKey is RUJWFMYDGATJKG-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H29N3O3/c1-3-17(4-2)10-7-16-13-14(19)18-8-5-15(6-9-18)20-11-12-21-15/h16H,3-13H2,1-2H3/p+2.
What are the key properties of 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium?
2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium has a molecular weight of 301.43 g/mol, XLogP of -2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]azaniumyl]ethyl-diethylazanium is sourced from PubChem (CID 7437314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).