1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one

C11H21NO2 — CID 116587978

IUPAC1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one
SMILESCCNC1COCC1C(=O)CC(C)C
InChIInChI=1S/C11H21NO2/c1-4-12-10-7-14-6-9(10)11(13)5-8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyGTWVBXCDSAUENB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.23
Rot. Bonds5

About 1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one

1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one (PubChem CID 116587978) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one
PubChem CID116587978
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one
SMILESCCNC1COCC1C(=O)CC(C)C
InChIInChI=1S/C11H21NO2/c1-4-12-10-7-14-6-9(10)11(13)5-8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyGTWVBXCDSAUENB-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one
CID 116588055
1-[4-(ethylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one
CID 106736622
propan-2-yl 4-(ethylamino)oxolane-3-carboxylate
CID 66247148
2-ethyl-1-[4-(ethylamino)oxolan-3-yl]butan-1-one
CID 116588173
2-cyclopentyl-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588094
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
[4-(ethylamino)oxolan-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 66258499
[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495367
4-(ethylamino)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]oxolane-3-carboxamide
CID 66258672
cyclobutyl-[4-(ethylamino)oxolan-3-yl]methanone
CID 116588180
N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258493
N-(2-cyclopropylpropyl)-4-(ethylamino)oxolane-3-carboxamide
CID 113475270

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one (CID 116587978) is 1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one is CCNC1COCC1C(=O)CC(C)C.
What is the InChIKey of 1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one?
The InChIKey is GTWVBXCDSAUENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-12-10-7-14-6-9(10)11(13)5-8(2)3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one?
1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one is sourced from PubChem (CID 116587978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).