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

C12H19F3N2O — CID 115772215

IUPAC2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(C)(C)NCC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c1-11(2,3)16-8-10(18)17-6-4-9(5-7-17)12(13,14)15/h4,16H,5-8H2,1-3H3
InChIKeyUIXKEWZRUXXHKV-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.10
Rot. Bonds2

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

2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 115772215) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID115772215
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(C)(C)NCC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c1-11(2,3)16-8-10(18)17-6-4-9(5-7-17)12(13,14)15/h4,16H,5-8H2,1-3H3
InChIKeyUIXKEWZRUXXHKV-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
N-[1-(1-{2-[(aminocarbonyl)amino]ethyl}-1,2,5,6-tetrahydropyridin-3-yl)-2,2,2-trifluoroethyl]acetamide
CID 50953572
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797606
2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 103514298
(2R)-2-amino-3,3-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930303
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930308
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930312
(2S)-2-amino-3-methyl-N-[2-oxo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]butanamide
CID 104930314

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 115772215) is 2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(C)(C)NCC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is UIXKEWZRUXXHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-11(2,3)16-8-10(18)17-6-4-9(5-7-17)12(13,14)15/h4,16H,5-8H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 264.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 115772215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).