(1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine

C15H20F3N3 — CID 145074856

IUPAC(1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine
SMILESCC(C)/C(N)=C/C=C(\N)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3/c1-10(2)13(19)7-8-14(20)21-9-11-3-5-12(6-4-11)15(16,17)18/h3-8,10,21H,9,19-20H2,1-2H3/b13-7-,14-8+
InChIKeyMVALCOLOWOQFEB-MFUUIURDSA-N
MW299.34 g/mol
LogP3.09
Rot. Bonds5

About (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine

(1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine (PubChem CID 145074856) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine
PubChem CID145074856
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name(1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine
SMILESCC(C)/C(N)=C/C=C(\N)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3/c1-10(2)13(19)7-8-14(20)21-9-11-3-5-12(6-4-11)15(16,17)18/h3-8,10,21H,9,19-20H2,1-2H3/b13-7-,14-8+
InChIKeyMVALCOLOWOQFEB-MFUUIURDSA-N
XLogP3.09
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880982
1-(2-methylpropyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea
CID 115575037
2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 79814612
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 146493049
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
2-methyl-1-(3-methylbutan-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111000670

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine (CID 145074856) is (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine is CC(C)/C(N)=C/C=C(\N)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine?
The InChIKey is MVALCOLOWOQFEB-MFUUIURDSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-10(2)13(19)7-8-14(20)21-9-11-3-5-12(6-4-11)15(16,17)18/h3-8,10,21H,9,19-20H2,1-2H3/b13-7-,14-8+.
What are the key properties of (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine?
(1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine has a molecular weight of 299.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-methyl-1-N'-[[4-(trifluoromethyl)phenyl]methyl]hexa-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 145074856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).