ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane

C25H37N — CID 154656160

IUPACethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane
SMILESC=Cc1ccc(C(=C)c2cc(CC)c(CC)cc2N)cc1.CC.CCC
InChIInChI=1S/C20H23N.C3H8.C2H6/c1-5-15-8-10-18(11-9-15)14(4)19-12-16(6-2)17(7-3)13-20(19)21;1-3-2;1-2/h5,8-13H,1,4,6-7,21H2,2-3H3;3H2,1-2H3;1-2H3
InChIKeyHZIXXJRHLJMKJR-UHFFFAOYSA-N
MW351.58 g/mol
LogP7.54
Rot. Bonds5

About ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane

ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane (PubChem CID 154656160) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane.

Molecular Properties

Compound Nameethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane
PubChem CID154656160
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Nameethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane
SMILESC=Cc1ccc(C(=C)c2cc(CC)c(CC)cc2N)cc1.CC.CCC
InChIInChI=1S/C20H23N.C3H8.C2H6/c1-5-15-8-10-18(11-9-15)14(4)19-12-16(6-2)17(7-3)13-20(19)21;1-3-2;1-2/h5,8-13H,1,4,6-7,21H2,2-3H3;3H2,1-2H3;1-2H3
InChIKeyHZIXXJRHLJMKJR-UHFFFAOYSA-N
XLogP7.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane?
The IUPAC name of ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane (CID 154656160) is ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane.
What is the SMILES notation for ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane?
The canonical SMILES for ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane is C=Cc1ccc(C(=C)c2cc(CC)c(CC)cc2N)cc1.CC.CCC.
What is the InChIKey of ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane?
The InChIKey is HZIXXJRHLJMKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N.C3H8.C2H6/c1-5-15-8-10-18(11-9-15)14(4)19-12-16(6-2)17(7-3)13-20(19)21;1-3-2;1-2/h5,8-13H,1,4,6-7,21H2,2-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane?
ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane has a molecular weight of 351.58 g/mol, XLogP of 7.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane is sourced from PubChem (CID 154656160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).