3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one

C12H21NO2 — CID 116555810

IUPAC3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
SMILESCC(N)CC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H21NO2/c1-9(13)7-11(14)10-3-6-15-12(8-10)4-2-5-12/h9-10H,2-8,13H2,1H3
InChIKeyJZVGMLXHWJPFMK-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.64
Rot. Bonds3

About 3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one

3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one (PubChem CID 116555810) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
PubChem CID116555810
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
SMILESCC(N)CC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H21NO2/c1-9(13)7-11(14)10-3-6-15-12(8-10)4-2-5-12/h9-10H,2-8,13H2,1H3
InChIKeyJZVGMLXHWJPFMK-UHFFFAOYSA-N
XLogP1.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one
CID 116608371
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 105115694
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116571732
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921443
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794
3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116564442
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The IUPAC name of 3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one (CID 116555810) is 3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one.
What is the SMILES notation for 3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The canonical SMILES for 3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one is CC(N)CC(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The InChIKey is JZVGMLXHWJPFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(13)7-11(14)10-3-6-15-12(8-10)4-2-5-12/h9-10H,2-8,13H2,1H3.
What are the key properties of 3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one is sourced from PubChem (CID 116555810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).