(1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine

C29H36F3N3 — CID 142126168

IUPAC(1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine
SMILESC=C(NC(/C=C(\N)C1CCCCC1)=C/Cc1ccccc1C(F)(F)F)c1ccccc1NCCC
InChIInChI=1S/C29H36F3N3/c1-3-19-34-28-16-10-8-14-25(28)21(2)35-24(20-27(33)23-12-5-4-6-13-23)18-17-22-11-7-9-15-26(22)29(30,31)32/h7-11,14-16,18,20,23,34-35H,2-6,12-13,17,19,33H2,1H3/b24-18+,27-20-
InChIKeyWGLRLPJGNGLRHI-CWDDNYAFSA-N
MW483.62 g/mol
LogP7.64
Rot. Bonds10

About (1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine

(1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine (PubChem CID 142126168) has the molecular formula C29H36F3N3 and a molecular weight of 483.62 g/mol. Its IUPAC name is (1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine
PubChem CID142126168
Molecular FormulaC29H36F3N3
Molecular Weight483.62 g/mol
Exact Mass483.29
IUPAC Name(1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine
SMILESC=C(NC(/C=C(\N)C1CCCCC1)=C/Cc1ccccc1C(F)(F)F)c1ccccc1NCCC
InChIInChI=1S/C29H36F3N3/c1-3-19-34-28-16-10-8-14-25(28)21(2)35-24(20-27(33)23-12-5-4-6-13-23)18-17-22-11-7-9-15-26(22)29(30,31)32/h7-11,14-16,18,20,23,34-35H,2-6,12-13,17,19,33H2,1H3/b24-18+,27-20-
InChIKeyWGLRLPJGNGLRHI-CWDDNYAFSA-N
XLogP7.64
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 57.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E,3E)-1-N'-[1-[2-(propylamino)phenyl]ethenyl]-3-[2-(trifluoromethyl)phenyl]buta-1,3-diene-1,1,4-triamine
CID 142127271
(1Z,3E)-3-N-[(3Z)-4-methylocta-1,3-dien-2-yl]-1-piperidin-4-yl-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine
CID 142127425
2-[(E)-1-[2-(propylamino)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-1-enyl]aniline
CID 142128521
2-[amino(methyl)amino]ethanamine;(Z)-1-cyclohexyl-3-(2-methylphenyl)prop-1-en-1-amine;[2-(trifluoromethyl)phenyl]methanamine
CID 142127844
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
2-amino-N'-[2-(2-ethenylphenyl)-2-iminoethyl]-N-[1-[2-(propylamino)phenyl]ethenyl]benzenecarboximidamide
CID 142127756
N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide
CID 63173633
3-methyl-6-(1-methylpiperazin-2-yl)-N-[1-[2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidin-4-amine
CID 142126970
2-[2-(propylamino)phenyl]acetamide
CID 43738591
[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83044104
N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 63540889
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 155088072

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine (CID 142126168) is (1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine is C=C(NC(/C=C(\N)C1CCCCC1)=C/Cc1ccccc1C(F)(F)F)c1ccccc1NCCC.
What is the InChIKey of (1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine?
The InChIKey is WGLRLPJGNGLRHI-CWDDNYAFSA-N. The full InChI is InChI=1S/C29H36F3N3/c1-3-19-34-28-16-10-8-14-25(28)21(2)35-24(20-27(33)23-12-5-4-6-13-23)18-17-22-11-7-9-15-26(22)29(30,31)32/h7-11,14-16,18,20,23,34-35H,2-6,12-13,17,19,33H2,1H3/b24-18+,27-20-.
What are the key properties of (1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine?
(1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine has a molecular weight of 483.62 g/mol, XLogP of 7.64, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-cyclohexyl-3-N-[1-[2-(propylamino)phenyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]penta-1,3-diene-1,3-diamine is sourced from PubChem (CID 142126168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).