3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one

C11H19NO3 — CID 116550718

IUPAC3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
SMILESNCCC(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C11H19NO3/c12-4-1-10(13)9-2-5-15-11(7-9)3-6-14-8-11/h9H,1-8,12H2
InChIKeyHAWDMJWGWDKQRW-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.49
Rot. Bonds3

About 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one

3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one (PubChem CID 116550718) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
PubChem CID116550718
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
SMILESNCCC(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C11H19NO3/c12-4-1-10(13)9-2-5-15-11(7-9)3-6-14-8-11/h9H,1-8,12H2
InChIKeyHAWDMJWGWDKQRW-UHFFFAOYSA-N
XLogP0.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 79924083
2-(2-aminoethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanone
CID 116590914
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-3-ylethanone
CID 116583410
2-(4-aminophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 116549498
[4-(2-aminoethyl)phenyl]-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116577663
(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116550493
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-piperidin-4-ylpropan-1-one
CID 116563375
2-(3,5-dimethylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79908661
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(4-methylphenyl)ethanone
CID 79921686
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one (CID 116550718) is 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one is NCCC(=O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
The InChIKey is HAWDMJWGWDKQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c12-4-1-10(13)9-2-5-15-11(7-9)3-6-14-8-11/h9H,1-8,12H2.
What are the key properties of 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one has a molecular weight of 213.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one is sourced from PubChem (CID 116550718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).