2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one

C13H24N2O3 — CID 86784355

IUPAC2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H24N2O3/c1-2-3-5-11(14)12(16)15-7-4-6-13(10-15)17-8-9-18-13/h11H,2-10,14H2,1H3
InChIKeyAUVSFIWTBNNGCN-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one

2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one (PubChem CID 86784355) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one.

Molecular Properties

Compound Name2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one
PubChem CID86784355
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H24N2O3/c1-2-3-5-11(14)12(16)15-7-4-6-13(10-15)17-8-9-18-13/h11H,2-10,14H2,1H3
InChIKeyAUVSFIWTBNNGCN-UHFFFAOYSA-N
XLogP0.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
CID 86784353
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one
CID 115775416
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one
CID 114874861
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylbutan-1-one
CID 131218829

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one?
The IUPAC name of 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one (CID 86784355) is 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one.
What is the SMILES notation for 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one?
The canonical SMILES for 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one is CCCCC(N)C(=O)N1CCCC2(C1)OCCO2.
What is the InChIKey of 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one?
The InChIKey is AUVSFIWTBNNGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-5-11(14)12(16)15-7-4-6-13(10-15)17-8-9-18-13/h11H,2-10,14H2,1H3.
What are the key properties of 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one?
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one has a molecular weight of 256.35 g/mol, XLogP of 0.87, 4 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-9-azaspiro[4.5]decan-9-yl)hexan-1-one is sourced from PubChem (CID 86784355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).