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

C12H21NO2 — CID 102648304

IUPAC3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESCC(C)(C)NCCC(=O)C1=CCCCO1
InChIInChI=1S/C12H21NO2/c1-12(2,3)13-8-7-10(14)11-6-4-5-9-15-11/h6,13H,4-5,7-9H2,1-3H3
InChIKeyDECVMAQLYCETLK-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds4

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

3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (PubChem CID 102648304) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
PubChem CID102648304
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESCC(C)(C)NCCC(=O)C1=CCCCO1
InChIInChI=1S/C12H21NO2/c1-12(2,3)13-8-7-10(14)11-6-4-5-9-15-11/h6,13H,4-5,7-9H2,1-3H3
InChIKeyDECVMAQLYCETLK-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102646950
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648298
1-(3,4-dihydro-2H-pyran-6-yl)-3-(propan-2-ylamino)propan-1-one
CID 102648299
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)-2-(propylamino)ethanone
CID 102648323
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)-2-methyl-2-(methylamino)propan-1-one
CID 102648336
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one
CID 102648337

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (CID 102648304) is 3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is CC(C)(C)NCCC(=O)C1=CCCCO1.
What is the InChIKey of 3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The InChIKey is DECVMAQLYCETLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)13-8-7-10(14)11-6-4-5-9-15-11/h6,13H,4-5,7-9H2,1-3H3.
What are the key properties of 3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one has a molecular weight of 211.30 g/mol, XLogP of 2.03, 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-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is sourced from PubChem (CID 102648304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).