2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone

C11H21NO2 — CID 107138312

IUPAC2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone
SMILESCCC(C)NCC(=O)C1CCCOC1
InChIInChI=1S/C11H21NO2/c1-3-9(2)12-7-11(13)10-5-4-6-14-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyZWXRQVSHHGSLJH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.37
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone

2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone (PubChem CID 107138312) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone
PubChem CID107138312
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone
SMILESCCC(C)NCC(=O)C1CCCOC1
InChIInChI=1S/C11H21NO2/c1-3-9(2)12-7-11(13)10-5-4-6-14-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyZWXRQVSHHGSLJH-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone (CID 107138312) is 2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone is CCC(C)NCC(=O)C1CCCOC1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone?
The InChIKey is ZWXRQVSHHGSLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9(2)12-7-11(13)10-5-4-6-14-8-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone?
2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone has a molecular weight of 199.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(oxan-3-yl)ethanone is sourced from PubChem (CID 107138312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).