2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C11H17F3N2O — CID 114489901

IUPAC2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCCNCC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c1-2-5-15-8-10(17)16-6-3-9(4-7-16)11(12,13)14/h3,15H,2,4-8H2,1H3
InChIKeyFIMRRSNEEZNSJS-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.71
Rot. Bonds4

About 2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114489901) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114489901
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCCNCC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c1-2-5-15-8-10(17)16-6-3-9(4-7-16)11(12,13)14/h3,15H,2,4-8H2,1H3
InChIKeyFIMRRSNEEZNSJS-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
N-{[1-(3,3,4,4,4-pentafluorobutyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide
CID 50962805
2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 126769313
N-methyl-2-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide
CID 126772187
2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 70812911
2-[[(Z)-1,1,1-trifluoro-2,3-dimethylhex-3-en-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 169613634
2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide
CID 8215886
N-[1-(1-{2-[(aminocarbonyl)amino]ethyl}-1,2,5,6-tetrahydropyridin-3-yl)-2,2,2-trifluoroethyl]acetamide
CID 50953572
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60642299
1-[2-(Butylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280387
2-[ethyl(2-methylprop-2-enyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78787491
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914774

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114489901) is 2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CCCNCC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is FIMRRSNEEZNSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-5-15-8-10(17)16-6-3-9(4-7-16)11(12,13)14/h3,15H,2,4-8H2,1H3.
What are the key properties of 2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 250.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114489901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).