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

C12H22N2O3 — CID 86784353

IUPAC2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C12H22N2O3/c1-2-4-10(13)11(15)14-6-3-5-12(9-14)16-7-8-17-12/h10H,2-9,13H2,1H3
InChIKeyQWFYISUSRPHUJQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.48
Rot. Bonds3

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

2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one (PubChem CID 86784353) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
PubChem CID86784353
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C12H22N2O3/c1-2-4-10(13)11(15)14-6-3-5-12(9-14)16-7-8-17-12/h10H,2-9,13H2,1H3
InChIKeyQWFYISUSRPHUJQ-UHFFFAOYSA-N
XLogP0.48
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.48
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)hexan-1-one
CID 86784355
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one
CID 114874861
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one
CID 115775416
1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318225
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone
CID 130782080
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylbutan-1-one
CID 131218829
2-amino-1-(3,3,4-trimethylpiperazin-1-yl)pentan-1-one
CID 63634228
(2R)-2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)pentan-1-one
CID 103796728
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119329695
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 104920427
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one (CID 86784353) is 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one is CCCC(N)C(=O)N1CCCC2(C1)OCCO2.
What is the InChIKey of 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one?
The InChIKey is QWFYISUSRPHUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-4-10(13)11(15)14-6-3-5-12(9-14)16-7-8-17-12/h10H,2-9,13H2,1H3.
What are the key properties of 2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one?
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one has a molecular weight of 242.32 g/mol, XLogP of 0.48, 3 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)pentan-1-one is sourced from PubChem (CID 86784353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).