1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone

C14H21NO2 — CID 116589412

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H21NO2/c1-2-8-15-11-13(16)12-5-9-17-14(10-12)6-3-4-7-14/h1,12,15H,3-11H2
InChIKeyHWDWFPOHKDLBIF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.52
Rot. Bonds4

About 1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone

1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 116589412) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID116589412
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H21NO2/c1-2-8-15-11-13(16)12-5-9-17-14(10-12)6-3-4-7-14/h1,12,15H,3-11H2
InChIKeyHWDWFPOHKDLBIF-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 116575346
1-(oxan-4-yl)-2-(prop-2-ynylamino)ethanone
CID 116589434
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116555810
3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one
CID 116608371
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
CID 116606560
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451
2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 114032509
1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one
CID 116563307
4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 79922076
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone (CID 116589412) is 1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is HWDWFPOHKDLBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-8-15-11-13(16)12-5-9-17-14(10-12)6-3-4-7-14/h1,12,15H,3-11H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone?
1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 116589412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).