3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one

C14H27NO2 — CID 114624606

IUPAC3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
SMILESCCNC(C)CC(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H27NO2/c1-7-15-10(2)8-12(16)11-9-13(3,4)17-14(11,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyUZWCAVLYXDCNQC-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.54
Rot. Bonds5

About 3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one

3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one (PubChem CID 114624606) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
PubChem CID114624606
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
SMILESCCNC(C)CC(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H27NO2/c1-7-15-10(2)8-12(16)11-9-13(3,4)17-14(11,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyUZWCAVLYXDCNQC-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-ylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622416
1-(2,2,5,5-tetramethyloxolan-3-yl)but-3-en-1-one
CID 114622545
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 115813931
N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
CID 114624230
2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 103456074
2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114624678
(4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622432
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352
2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114622560
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The IUPAC name of 3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one (CID 114624606) is 3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one is CCNC(C)CC(=O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
The InChIKey is UZWCAVLYXDCNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-15-10(2)8-12(16)11-9-13(3,4)17-14(11,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of 3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one?
3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one is sourced from PubChem (CID 114624606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).