2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

C11H19NO2 — CID 102648415

IUPAC2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESCC(C)(C)NCC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-8-9(13)10-6-4-5-7-14-10/h6,12H,4-5,7-8H2,1-3H3
InChIKeyUQZWQYBVKGOWGO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds3

About 2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102648415) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102648415
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESCC(C)(C)NCC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-8-9(13)10-6-4-5-7-14-10/h6,12H,4-5,7-8H2,1-3H3
InChIKeyUQZWQYBVKGOWGO-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102648415) is 2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is CC(C)(C)NCC(=O)C1=CCCCO1.
What is the InChIKey of 2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is UQZWQYBVKGOWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)12-8-9(13)10-6-4-5-7-14-10/h6,12H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102648415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).