2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

C11H19NO2 — CID 102648298

IUPAC2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESCCC(C)NCC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-3-9(2)12-8-10(13)11-6-4-5-7-14-11/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeyKHCCEGYYSYOTRG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102648298) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102648298
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESCCC(C)NCC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-3-9(2)12-8-10(13)11-6-4-5-7-14-11/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeyKHCCEGYYSYOTRG-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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)-2-(2,2,2-trifluoroethylamino)ethanone
CID 102648414
N-(4-ethoxy-3-oxohex-4-en-2-yl)butanamide
CID 173510480
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)ethan-1-one
CID 84020971
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 84020972
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
2-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648294
1-(3,4-dihydro-2H-pyran-6-yl)-3-(propan-2-ylamino)propan-1-one
CID 102648299
2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648303
3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648304
2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648308
3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648309
1-(3,4-dihydro-2H-pyran-6-yl)-2-piperazin-1-ylethanone
CID 102648310

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102648298) is 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is CCC(C)NCC(=O)C1=CCCCO1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is KHCCEGYYSYOTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-9(2)12-8-10(13)11-6-4-5-7-14-11/h6,9,12H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.64, 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-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102648298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).