2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane

C12H24N2O3 — CID 143188610

IUPAC2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane
SMILESCCC.NCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C9H16N2O3.C3H8/c10-7-8(12)11-3-1-9(2-4-11)13-5-6-14-9;1-3-2/h1-7,10H2;3H2,1-2H3
InChIKeyQBZKYPMNGLGGIS-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.73
Rot. Bonds1

About 2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane

2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane (PubChem CID 143188610) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane.

Molecular Properties

Compound Name2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane
PubChem CID143188610
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane
SMILESCCC.NCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C9H16N2O3.C3H8/c10-7-8(12)11-3-1-9(2-4-11)13-5-6-14-9;1-3-2/h1-7,10H2;3H2,1-2H3
InChIKeyQBZKYPMNGLGGIS-UHFFFAOYSA-N
XLogP0.73
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)butan-1-one
CID 2970864
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-(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-(Azepan-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 71892138
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 11412971
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60506864

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane?
The IUPAC name of 2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane (CID 143188610) is 2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane.
What is the SMILES notation for 2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane?
The canonical SMILES for 2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane is CCC.NCC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane?
The InChIKey is QBZKYPMNGLGGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.C3H8/c10-7-8(12)11-3-1-9(2-4-11)13-5-6-14-9;1-3-2/h1-7,10H2;3H2,1-2H3.
What are the key properties of 2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane?
2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane has a molecular weight of 244.33 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone;propane is sourced from PubChem (CID 143188610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).