1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine

C25H36N4 — CID 155570487

IUPAC1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine
SMILESC=C(Nc1ccc(Cc2ccc(NC(=C)N(CC)CC)cc2)cc1)N(CC)CC
InChIInChI=1S/C25H36N4/c1-7-28(8-2)20(5)26-24-15-11-22(12-16-24)19-23-13-17-25(18-14-23)27-21(6)29(9-3)10-4/h11-18,26-27H,5-10,19H2,1-4H3
InChIKeyAIAHTHPLUZSYTO-UHFFFAOYSA-N
MW392.59 g/mol
LogP5.73
Rot. Bonds12

About 1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine

1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine (PubChem CID 155570487) has the molecular formula C25H36N4 and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine
PubChem CID155570487
Molecular FormulaC25H36N4
Molecular Weight392.59 g/mol
Exact Mass392.29
IUPAC Name1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine
SMILESC=C(Nc1ccc(Cc2ccc(NC(=C)N(CC)CC)cc2)cc1)N(CC)CC
InChIInChI=1S/C25H36N4/c1-7-28(8-2)20(5)26-24-15-11-22(12-16-24)19-23-13-17-25(18-14-23)27-21(6)29(9-3)10-4/h11-18,26-27H,5-10,19H2,1-4H3
InChIKeyAIAHTHPLUZSYTO-UHFFFAOYSA-N
XLogP5.73
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CL 277082
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CID 280350
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Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine?
The IUPAC name of 1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine (CID 155570487) is 1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine.
What is the SMILES notation for 1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine?
The canonical SMILES for 1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine is C=C(Nc1ccc(Cc2ccc(NC(=C)N(CC)CC)cc2)cc1)N(CC)CC.
What is the InChIKey of 1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine?
The InChIKey is AIAHTHPLUZSYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4/c1-7-28(8-2)20(5)26-24-15-11-22(12-16-24)19-23-13-17-25(18-14-23)27-21(6)29(9-3)10-4/h11-18,26-27H,5-10,19H2,1-4H3.
What are the key properties of 1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine?
1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine has a molecular weight of 392.59 g/mol, XLogP of 5.73, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[[4-[1-(diethylamino)ethenylamino]phenyl]methyl]phenyl]-1-N',1-N'-diethylethene-1,1-diamine is sourced from PubChem (CID 155570487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).