ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium

C27H40F4N3U- — CID 167493162

IUPACethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium
SMILESCC.CC/C=C\C(F)=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C(F)(F)F)cc1.CN1CCCCC1.[U]
InChIInChI=1S/C19H21F4N2.C6H13N.C2H6.U/c1-4-5-6-17(20)14(3)18(25-12-11-13(2)24)15-7-9-16(10-8-15)19(21,22)23;1-7-5-3-2-4-6-7;1-2;/h5-7,9-11H,4,12,24H2,1-3H3;2-6H2,1H3;1-2H3;/q-1;;;/b6-5-,13-11+,17-14-,25-18+;;;
InChIKeyAAGNHHRZWBJJNB-ATNUULQQSA-N
MW720.66 g/mol
LogP7.50
Rot. Bonds6

About ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium

ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium (PubChem CID 167493162) has the molecular formula C27H40F4N3U- and a molecular weight of 720.66 g/mol. Its IUPAC name is ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium.

Molecular Properties

Compound Nameethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium
PubChem CID167493162
Molecular FormulaC27H40F4N3U-
Molecular Weight720.66 g/mol
Exact Mass720.37
IUPAC Nameethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium
SMILESCC.CC/C=C\C(F)=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C(F)(F)F)cc1.CN1CCCCC1.[U]
InChIInChI=1S/C19H21F4N2.C6H13N.C2H6.U/c1-4-5-6-17(20)14(3)18(25-12-11-13(2)24)15-7-9-16(10-8-15)19(21,22)23;1-7-5-3-2-4-6-7;1-2;/h5-7,9-11H,4,12,24H2,1-3H3;2-6H2,1H3;1-2H3;/q-1;;;/b6-5-,13-11+,17-14-,25-18+;;;
InChIKeyAAGNHHRZWBJJNB-ATNUULQQSA-N
XLogP7.50
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.66
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium 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

4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene
CID 143722040
ethane;(E)-4-[[(2E,4Z)-1-[2-fluoro-4-(trifluoromethyl)benzene-6-id-1-yl]-2-methylocta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium
CID 167493255
(2E,4Z,6Z)-5-(difluoromethyl)-N-[(3-ethenyliminocyclohexa-1,5-dien-1-yl)methyl]-7-methyl-4-piperazin-1-yl-6-(trifluoromethyl)nona-2,4,6-trien-3-amine
CID 169978536
1-butylpiperidine;3,3-difluoro-2H-acridine
CID 160676935
difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+)
CID 167492826

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium?
The IUPAC name of ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium (CID 167493162) is ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium.
What is the SMILES notation for ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium?
The canonical SMILES for ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium is CC.CC/C=C\C(F)=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C(F)(F)F)cc1.CN1CCCCC1.[U].
What is the InChIKey of ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium?
The InChIKey is AAGNHHRZWBJJNB-ATNUULQQSA-N. The full InChI is InChI=1S/C19H21F4N2.C6H13N.C2H6.U/c1-4-5-6-17(20)14(3)18(25-12-11-13(2)24)15-7-9-16(10-8-15)19(21,22)23;1-7-5-3-2-4-6-7;1-2;/h5-7,9-11H,4,12,24H2,1-3H3;2-6H2,1H3;1-2H3;/q-1;;;/b6-5-,13-11+,17-14-,25-18+;;;.
What are the key properties of ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium?
ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium has a molecular weight of 720.66 g/mol, XLogP of 7.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium is sourced from PubChem (CID 167493162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).