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

C12H19F3N2O — CID 114489766

IUPAC3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
SMILESCC(C)C(N)CC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c1-8(2)10(16)7-11(18)17-5-3-9(4-6-17)12(13,14)15/h3,8,10H,4-7,16H2,1-2H3
InChIKeyPDOYNKMKOIUDCJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.08
Rot. Bonds3

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

3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one (PubChem CID 114489766) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one.

Molecular Properties

Compound Name3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
PubChem CID114489766
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
SMILESCC(C)C(N)CC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c1-8(2)10(16)7-11(18)17-5-3-9(4-6-17)12(13,14)15/h3,8,10H,4-7,16H2,1-2H3
InChIKeyPDOYNKMKOIUDCJ-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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CID 89153913
6-amino-N-(3,3-difluorobutyl)-N-methylcyclohexa-1,3-diene-1-carboxamide
CID 166810562
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
4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79208280
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79210324
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79210325
(4-Aminocyclopent-2-en-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 79210873
4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79210889
4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
CID 79210961
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopent-2-ene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
The IUPAC name of 3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one (CID 114489766) is 3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one.
What is the SMILES notation for 3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
The canonical SMILES for 3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one is CC(C)C(N)CC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
The InChIKey is PDOYNKMKOIUDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-8(2)10(16)7-11(18)17-5-3-9(4-6-17)12(13,14)15/h3,8,10H,4-7,16H2,1-2H3.
What are the key properties of 3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one?
3-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, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one is sourced from PubChem (CID 114489766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).