5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide

C16H21F3N2 — CID 130182386

IUPAC5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide
SMILESC=CCN/C(CCCC(F)(F)F)=N/Cc1ccc(C)cc1
InChIInChI=1S/C16H21F3N2/c1-3-11-20-15(5-4-10-16(17,18)19)21-12-14-8-6-13(2)7-9-14/h3,6-9H,1,4-5,10-12H2,2H3,(H,20,21)
InChIKeyLYNXURFACGGTSA-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.40
Rot. Bonds7

About 5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide

5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide (PubChem CID 130182386) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide
PubChem CID130182386
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide
SMILESC=CCN/C(CCCC(F)(F)F)=N/Cc1ccc(C)cc1
InChIInChI=1S/C16H21F3N2/c1-3-11-20-15(5-4-10-16(17,18)19)21-12-14-8-6-13(2)7-9-14/h3,6-9H,1,4-5,10-12H2,2H3,(H,20,21)
InChIKeyLYNXURFACGGTSA-UHFFFAOYSA-N
XLogP4.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 231469
2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
CID 81501
N-[3-(Pyrrolidin-1-yl)propyl]-N'-{[4-(trifluoromethyl)phenyl]methyl}guanidine
CID 9799197
2-(4-Isopropyl-benzyl)-4,5-dihydro-1H-imidazole
CID 9837108
(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
CID 11188163
2-[4-(Trifluoromethyl)phenyl]-1-imidazoline
CID 11241345
N-tert-butyl-7-(4-methylphenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 12834603
2-(4-ethylphenyl)-4,5-dihydro-1H-imidazole
CID 17774023
2-(3-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 21819953
2-(4-propylphenyl)-4,5-dihydro-1H-imidazole
CID 44269036
5-Methyl-2-(p-tolyl)-4,5-dihydro-1H-imidazole
CID 44269044
2-(3-fluoro-4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 44269128

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide?
The IUPAC name of 5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide (CID 130182386) is 5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide.
What is the SMILES notation for 5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide?
The canonical SMILES for 5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide is C=CCN/C(CCCC(F)(F)F)=N/Cc1ccc(C)cc1.
What is the InChIKey of 5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide?
The InChIKey is LYNXURFACGGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-3-11-20-15(5-4-10-16(17,18)19)21-12-14-8-6-13(2)7-9-14/h3,6-9H,1,4-5,10-12H2,2H3,(H,20,21).
What are the key properties of 5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide?
5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide has a molecular weight of 298.35 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N'-[(4-methylphenyl)methyl]-N-prop-2-enylpentanimidamide is sourced from PubChem (CID 130182386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).