(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

C32H49F5N5OU- — CID 171493595

IUPAC(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
SMILESC/C=C(\C=N\C(C)=C\CC)C(C)(F)F.[H]/[C-]=C(/CNC(CCC)CCCCC)N(C)C1CCc2c1n[nH]c(=O)c2C(F)(F)F.[U]
InChIInChI=1S/C21H32F3N4O.C11H17F2N.U/c1-5-7-8-10-15(9-6-2)25-13-14(3)28(4)17-12-11-16-18(21(22,23)24)20(29)27-26-19(16)17;1-5-7-9(3)14-8-10(6-2)11(4,12)13;/h3,15,17,25H,5-13H2,1-2,4H3,(H,27,29);6-8H,5H2,1-4H3;/q-1;;/b;9-7+,10-6+,14-8+;
InChIKeyUSINYBVUHJTUPF-FONTYHSWSA-N
MW852.80 g/mol
LogP8.34
Rot. Bonds15

About (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (PubChem CID 171493595) has the molecular formula C32H49F5N5OU- and a molecular weight of 852.80 g/mol. Its IUPAC name is (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.

Molecular Properties

Compound Name(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
PubChem CID171493595
Molecular FormulaC32H49F5N5OU-
Molecular Weight852.80 g/mol
Exact Mass852.44
IUPAC Name(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
SMILESC/C=C(\C=N\C(C)=C\CC)C(C)(F)F.[H]/[C-]=C(/CNC(CCC)CCCCC)N(C)C1CCc2c1n[nH]c(=O)c2C(F)(F)F.[U]
InChIInChI=1S/C21H32F3N4O.C11H17F2N.U/c1-5-7-8-10-15(9-6-2)25-13-14(3)28(4)17-12-11-16-18(21(22,23)24)20(29)27-26-19(16)17;1-5-7-9(3)14-8-10(6-2)11(4,12)13;/h3,15,17,25H,5-13H2,1-2,4H3,(H,27,29);6-8H,5H2,1-4H3;/q-1;;/b;9-7+,10-6+,14-8+;
InChIKeyUSINYBVUHJTUPF-FONTYHSWSA-N
XLogP8.34
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.80
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium with MolForge

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Related Compounds

(E)-2-(1,1-difluoroethyl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine;ethane;2-methylprop-1-en-1-one;N-methyl-N-propylpentan-1-amine;7-methyl-7-propyl-4-(trifluoromethyl)-5,6-dihydro-2H-cyclopenta[c]pyridazin-3-one
CID 171492753
N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N'-pentyl-N'-propylpropanediamide;(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492818
3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-propan-2-ylamino]-N-pentyl-N-propylpropanamide;(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492894
7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
CID 171492953
3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-propan-2-ylamino]-N-propyl-N-[5-[(2Z,6E)-7-(trifluoromethyl)-4,5-dihydroazocin-2-yl]pentyl]propanamide
CID 171493244
7-(dimethylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;2-(nonan-4-ylamino)acetaldehyde;(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171493505
7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
CID 171493549
(E)-2-(1,1-difluoroethyl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine;N-ethenyl-N-propylpentan-1-amine;7-methyl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;propane;prop-1-ene
CID 171493699
7-[4-fluoro-5-[1-[propyl-[(Z)-6-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]oct-6-enyl]amino]ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171492954
7-[5-[1-[5-[(2Z,6E)-7-(1,1-difluoroethyl)-4,5-dihydroazocin-2-yl]pentyl-propylamino]ethenyl]-4-fluoro-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493550
7-[Methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493596

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?
The IUPAC name of (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (CID 171493595) is (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.
What is the SMILES notation for (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?
The canonical SMILES for (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is C/C=C(\C=N\C(C)=C\CC)C(C)(F)F.[H]/[C-]=C(/CNC(CCC)CCCCC)N(C)C1CCc2c1n[nH]c(=O)c2C(F)(F)F.[U].
What is the InChIKey of (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?
The InChIKey is USINYBVUHJTUPF-FONTYHSWSA-N. The full InChI is InChI=1S/C21H32F3N4O.C11H17F2N.U/c1-5-7-8-10-15(9-6-2)25-13-14(3)28(4)17-12-11-16-18(21(22,23)24)20(29)27-26-19(16)17;1-5-7-9(3)14-8-10(6-2)11(4,12)13;/h3,15,17,25H,5-13H2,1-2,4H3,(H,27,29);6-8H,5H2,1-4H3;/q-1;;/b;9-7+,10-6+,14-8+;.
What are the key properties of (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?
(E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium has a molecular weight of 852.80 g/mol, XLogP of 8.34, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,1-difluoroethyl)-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-[methyl-[3-(nonan-4-ylamino)prop-1-en-2-yl]amino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is sourced from PubChem (CID 171493595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).