(E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine

C25H23N — CID 90130383

IUPAC(E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine
SMILESC=C=C(NC(/C=C(\C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N/c1-3-24(22-15-9-5-10-16-22)26-25(23-17-11-6-12-18-23)19-20(2)21-13-7-4-8-14-21/h4-19,25-26H,1H2,2H3/b20-19+
InChIKeyMADVPBFRMUZXQU-FMQUCBEESA-N
MW337.47 g/mol
LogP6.25
Rot. Bonds6

About (E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine

(E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine (PubChem CID 90130383) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is (E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine
PubChem CID90130383
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name(E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine
SMILESC=C=C(NC(/C=C(\C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N/c1-3-24(22-15-9-5-10-16-22)26-25(23-17-11-6-12-18-23)19-20(2)21-13-7-4-8-14-21/h4-19,25-26H,1H2,2H3/b20-19+
InChIKeyMADVPBFRMUZXQU-FMQUCBEESA-N
XLogP6.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine?
The IUPAC name of (E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine (CID 90130383) is (E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine.
What is the SMILES notation for (E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine?
The canonical SMILES for (E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine is C=C=C(NC(/C=C(\C)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine?
The InChIKey is MADVPBFRMUZXQU-FMQUCBEESA-N. The full InChI is InChI=1S/C25H23N/c1-3-24(22-15-9-5-10-16-22)26-25(23-17-11-6-12-18-23)19-20(2)21-13-7-4-8-14-21/h4-19,25-26H,1H2,2H3/b20-19+.
What are the key properties of (E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine?
(E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine has a molecular weight of 337.47 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-diphenyl-N-(1-phenylpropa-1,2-dienyl)but-2-en-1-amine is sourced from PubChem (CID 90130383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).