1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one

C12H23NO2 — CID 107890185

IUPAC1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1COCC1NCC
InChIInChI=1S/C12H23NO2/c1-4-6-9(3)12(14)10-7-15-8-11(10)13-5-2/h9-11,13H,4-8H2,1-3H3
InChIKeyNGLZNWBXFLVABK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.62
Rot. Bonds6

About 1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one

1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one (PubChem CID 107890185) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one
PubChem CID107890185
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1COCC1NCC
InChIInChI=1S/C12H23NO2/c1-4-6-9(3)12(14)10-7-15-8-11(10)13-5-2/h9-11,13H,4-8H2,1-3H3
InChIKeyNGLZNWBXFLVABK-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 114225547
2-(3,3-Difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 114225578
5,5,5-Trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561467
4,4,4-Trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one
CID 116561522
5,5,5-Trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587834
4,4,4-Trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587884
1-[4-(Ethylamino)oxolan-3-yl]-5,5,5-trifluoropentan-1-one
CID 116588116
1-[4-(Ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one
CID 116588167
1-[(3R,4R)-4-heptoxypyrrolidin-3-yl]dodecan-1-one
CID 166872376
2-Methyl-1-(4-propoxypyrrolidin-2-yl)propan-1-one
CID 172119966
1-[4-(Ethylamino)oxolan-3-yl]oct-7-en-1-one
CID 107010922
(4-Methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone
CID 107138329

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one?
The IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one (CID 107890185) is 1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one.
What is the SMILES notation for 1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one?
The canonical SMILES for 1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one is CCCC(C)C(=O)C1COCC1NCC.
What is the InChIKey of 1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one?
The InChIKey is NGLZNWBXFLVABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-6-9(3)12(14)10-7-15-8-11(10)13-5-2/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one?
1-[4-(ethylamino)oxolan-3-yl]-2-methylpentan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.62, 6 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]-2-methylpentan-1-one is sourced from PubChem (CID 107890185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).