3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one

C11H19NO2 — CID 102652428

IUPAC3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
SMILESCC(C)(C)NCCC(=O)C1=CCCO1
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-7-6-9(13)10-5-4-8-14-10/h5,12H,4,6-8H2,1-3H3
InChIKeyNAGWRHDXNHUSAJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds4

About 3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one

3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one (PubChem CID 102652428) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
PubChem CID102652428
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
SMILESCC(C)(C)NCCC(=O)C1=CCCO1
InChIInChI=1S/C11H19NO2/c1-11(2,3)12-7-6-9(13)10-5-4-8-14-10/h5,12H,4,6-8H2,1-3H3
InChIKeyNAGWRHDXNHUSAJ-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-3-(propan-2-ylamino)propan-1-one
CID 102648299
3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648304
3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648309
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 102648332
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
CID 102648334
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 102648335
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one
CID 102648337
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-3-(methylamino)propan-1-one
CID 102648408
2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648415
3-(Diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
CID 102651026
1-(2,3-Dihydrofuran-5-yl)-3-(propan-2-ylamino)propan-1-one
CID 102652423

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one (CID 102652428) is 3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one is CC(C)(C)NCCC(=O)C1=CCCO1.
What is the InChIKey of 3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one?
The InChIKey is NAGWRHDXNHUSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)12-7-6-9(13)10-5-4-8-14-10/h5,12H,4,6-8H2,1-3H3.
What are the key properties of 3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one?
3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one is sourced from PubChem (CID 102652428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).