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

C10H17NO2 — CID 102648334

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-2-11-7-6-9(12)10-5-3-4-8-13-10/h5,11H,2-4,6-8H2,1H3
InChIKeyGIXUHYZRXHWELN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one (PubChem CID 102648334) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
PubChem CID102648334
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-2-11-7-6-9(12)10-5-3-4-8-13-10/h5,11H,2-4,6-8H2,1H3
InChIKeyGIXUHYZRXHWELN-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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)-3-(dimethylamino)propan-1-one
CID 102647000
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648279
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one
CID 102648296
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-(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)-2-(ethylamino)ethanone
CID 102648322
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propylamino)ethanone
CID 102648323

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one (CID 102648334) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one is CCNCCC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one?
The InChIKey is GIXUHYZRXHWELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-11-7-6-9(12)10-5-3-4-8-13-10/h5,11H,2-4,6-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one is sourced from PubChem (CID 102648334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).