5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one

C12H19F3N2O — CID 114489782

IUPAC5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
SMILESCC(CN)CCC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c1-9(8-16)2-3-11(18)17-6-4-10(5-7-17)12(13,14)15/h4,9H,2-3,5-8,16H2,1H3
InChIKeyUMVCAIFXERQKJZ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.08
Rot. Bonds4

About 5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one

5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one (PubChem CID 114489782) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
PubChem CID114489782
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
SMILESCC(CN)CCC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c1-9(8-16)2-3-11(18)17-6-4-10(5-7-17)12(13,14)15/h4,9H,2-3,5-8,16H2,1H3
InChIKeyUMVCAIFXERQKJZ-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.08
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

5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 70892604
5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide
CID 89153913
5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide
CID 89214736
4,4,4-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 134370426
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4-difluoropentan-1-one
CID 134370450
5-(3,3-difluorobutylamino)-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]pentanamide
CID 143132847
4-fluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 176665786
(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone
CID 176829813
ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone
CID 177162084
2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide
CID 178010167
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide
CID 51080879
4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
CID 79207067

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
The IUPAC name of 5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one (CID 114489782) is 5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one.
What is the SMILES notation for 5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
The canonical SMILES for 5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one is CC(CN)CCC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
The InChIKey is UMVCAIFXERQKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-9(8-16)2-3-11(18)17-6-4-10(5-7-17)12(13,14)15/h4,9H,2-3,5-8,16H2,1H3.
What are the key properties of 5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one has a molecular weight of 264.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one is sourced from PubChem (CID 114489782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).