3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide

C14H16F3N3 — CID 144916595

IUPAC3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)/C(C)=C\C(=C)C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3/c1-9(14(15,16)17)7-10(2)20(3)12-6-4-5-11(8-12)13(18)19/h4-8H,1H2,2-3H3,(H3,18,19)/b10-7-
InChIKeyOEALBFLHTDGMJF-YFHOEESVSA-N
MW283.30 g/mol
LogP3.43
Rot. Bonds4

About 3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide

3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide (PubChem CID 144916595) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide
PubChem CID144916595
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)/C(C)=C\C(=C)C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3/c1-9(14(15,16)17)7-10(2)20(3)12-6-4-5-11(8-12)13(18)19/h4-8H,1H2,2-3H3,(H3,18,19)/b10-7-
InChIKeyOEALBFLHTDGMJF-YFHOEESVSA-N
XLogP3.43
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]benzenecarboximidamide
CID 62971703
3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 62970652
3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]benzenecarboximidamide
CID 112589680
3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 2730243
4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide
CID 62969464
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360
(2S)-2-(3-carbamimidoyl-N-methylanilino)propanoic acid;hydrochloride
CID 86675966
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide
CID 62971388
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide?
The IUPAC name of 3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide (CID 144916595) is 3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide.
What is the SMILES notation for 3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide?
The canonical SMILES for 3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)/C(C)=C\C(=C)C(F)(F)F)c1.
What is the InChIKey of 3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide?
The InChIKey is OEALBFLHTDGMJF-YFHOEESVSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-9(14(15,16)17)7-10(2)20(3)12-6-4-5-11(8-12)13(18)19/h4-8H,1H2,2-3H3,(H3,18,19)/b10-7-.
What are the key properties of 3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide?
3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide has a molecular weight of 283.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2Z)-4-(trifluoromethyl)penta-2,4-dien-2-yl]amino]benzenecarboximidamide is sourced from PubChem (CID 144916595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).