ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine

C22H31N — CID 145295437

IUPACethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine
SMILESCC.CC.[H]/N=C(C(=C/Cc1ccccc1)\CC)/c1ccccc1
InChIInChI=1S/C18H19N.2C2H6/c1-2-16(14-13-15-9-5-3-6-10-15)18(19)17-11-7-4-8-12-17;2*1-2/h3-12,14,19H,2,13H2,1H3;2*1-2H3/b16-14-,19-18+;;
InChIKeyMNTSPXBOPLGUQM-FSJYQXQGSA-N
MW309.50 g/mol
LogP6.69
Rot. Bonds5

About ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine

ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine (PubChem CID 145295437) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine
PubChem CID145295437
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Nameethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine
SMILESCC.CC.[H]/N=C(C(=C/Cc1ccccc1)\CC)/c1ccccc1
InChIInChI=1S/C18H19N.2C2H6/c1-2-16(14-13-15-9-5-3-6-10-15)18(19)17-11-7-4-8-12-17;2*1-2/h3-12,14,19H,2,13H2,1H3;2*1-2H3/b16-14-,19-18+;;
InChIKeyMNTSPXBOPLGUQM-FSJYQXQGSA-N
XLogP6.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine
CID 89227013
(Z)-2,4-diphenylbut-2-en-1-imine
CID 144876754
[(Z)-2,4-diphenylbut-2-enyl]-trimethylphosphanium
CID 177487791
(Z)-1,4-diphenylbut-2-en-1-imine;ethane
CID 145272751
(E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine
CID 142421269
(2Z,5Z)-5-[(Z)-but-2-en-2-yl]-2-methyl-1-phenylocta-2,5,7-trien-1-imine;ethane
CID 144876386
[(Z)-1-fluoro-3-phenylprop-1-enyl]benzene
CID 15892618
3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene
CID 141019817
[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
CID 175788852
ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine
CID 144506172
(2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal
CID 66552235
actinium;(Z)-4-phenylbut-2-en-2-ol
CID 22892787

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine?
The IUPAC name of ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine (CID 145295437) is ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine?
The canonical SMILES for ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine is CC.CC.[H]/N=C(C(=C/Cc1ccccc1)\CC)/c1ccccc1.
What is the InChIKey of ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine?
The InChIKey is MNTSPXBOPLGUQM-FSJYQXQGSA-N. The full InChI is InChI=1S/C18H19N.2C2H6/c1-2-16(14-13-15-9-5-3-6-10-15)18(19)17-11-7-4-8-12-17;2*1-2/h3-12,14,19H,2,13H2,1H3;2*1-2H3/b16-14-,19-18+;;.
What are the key properties of ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine?
ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine has a molecular weight of 309.50 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-ethyl-1,4-diphenylbut-2-en-1-imine is sourced from PubChem (CID 145295437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).