2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

C14H25NO2 — CID 114624678

IUPAC2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCC1(C)CC(C(=O)CC2(N)CCC2)C(C)(C)O1
InChIInChI=1S/C14H25NO2/c1-12(2)8-10(13(3,4)17-12)11(16)9-14(15)6-5-7-14/h10H,5-9,15H2,1-4H3
InChIKeyZWFSZYQJAQGQAK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.42
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (PubChem CID 114624678) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
PubChem CID114624678
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCC1(C)CC(C(=O)CC2(N)CCC2)C(C)(C)O1
InChIInChI=1S/C14H25NO2/c1-12(2)8-10(13(3,4)17-12)11(16)9-14(15)6-5-7-14/h10H,5-9,15H2,1-4H3
InChIKeyZWFSZYQJAQGQAK-UHFFFAOYSA-N
XLogP2.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,5,5-tetramethyloxolan-3-yl)but-3-en-1-one
CID 114622545
2-propan-2-ylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622416
2-(1-aminocyclobutyl)-1-cyclopentylethanone
CID 116591112
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352
(2-amino-1-methylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114624726
2-(1-aminocyclobutyl)-1-cycloheptylethanone
CID 116591382
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114624690
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622360
1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 114622374
2-(2-amino-1,3-thiazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114624631
2-(1-aminocyclohexyl)-1-cyclopropylethanone
CID 116579120

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (CID 114624678) is 2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is CC1(C)CC(C(=O)CC2(N)CCC2)C(C)(C)O1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The InChIKey is ZWFSZYQJAQGQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12(2)8-10(13(3,4)17-12)11(16)9-14(15)6-5-7-14/h10H,5-9,15H2,1-4H3.
What are the key properties of 2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is sourced from PubChem (CID 114624678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).