4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one

C13H23NO2 — CID 116594794

IUPAC4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
SMILESCC(CCN)C(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H23NO2/c1-10(3-7-14)12(15)11-4-8-16-13(9-11)5-2-6-13/h10-11H,2-9,14H2,1H3
InChIKeyWUTFUOMEJRCWLL-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.89
Rot. Bonds4

About 4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one

4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one (PubChem CID 116594794) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
PubChem CID116594794
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
SMILESCC(CCN)C(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H23NO2/c1-10(3-7-14)12(15)11-4-8-16-13(9-11)5-2-6-13/h10-11H,2-9,14H2,1H3
InChIKeyWUTFUOMEJRCWLL-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116564442
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116573884
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
CID 116606560
2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-1-one
CID 114247062
2-(aminomethyl)-4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116597880
3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116555810
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 115788152

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The IUPAC name of 4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one (CID 116594794) is 4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one.
What is the SMILES notation for 4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The canonical SMILES for 4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one is CC(CCN)C(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of 4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The InChIKey is WUTFUOMEJRCWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(3-7-14)12(15)11-4-8-16-13(9-11)5-2-6-13/h10-11H,2-9,14H2,1H3.
What are the key properties of 4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one is sourced from PubChem (CID 116594794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).