(E)-2-(dibutylamino)-4-phenylbut-3-enal

C18H27NO — CID 87921406

IUPAC(E)-2-(dibutylamino)-4-phenylbut-3-enal
SMILESCCCCN(CCCC)C(C=O)/C=C/c1ccccc1
InChIInChI=1S/C18H27NO/c1-3-5-14-19(15-6-4-2)18(16-20)13-12-17-10-8-7-9-11-17/h7-13,16,18H,3-6,14-15H2,1-2H3/b13-12+
InChIKeyZBSLDVYKTMVJGA-OUKQBFOZSA-N
MW273.42 g/mol
LogP4.17
Rot. Bonds10

About (E)-2-(dibutylamino)-4-phenylbut-3-enal

(E)-2-(dibutylamino)-4-phenylbut-3-enal (PubChem CID 87921406) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (E)-2-(dibutylamino)-4-phenylbut-3-enal.

Molecular Properties

Compound Name(E)-2-(dibutylamino)-4-phenylbut-3-enal
PubChem CID87921406
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(E)-2-(dibutylamino)-4-phenylbut-3-enal
SMILESCCCCN(CCCC)C(C=O)/C=C/c1ccccc1
InChIInChI=1S/C18H27NO/c1-3-5-14-19(15-6-4-2)18(16-20)13-12-17-10-8-7-9-11-17/h7-13,16,18H,3-6,14-15H2,1-2H3/b13-12+
InChIKeyZBSLDVYKTMVJGA-OUKQBFOZSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine
CID 82041821
(E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine
CID 24862408
[(E)-3-methylhept-1-enyl]benzene
CID 12949923
[(Z,3R)-1-phenyloct-1-en-3-yl] formate
CID 124646763
2-methylidene-3-(2-phenylethenyl)heptanoic acid
CID 54501886
[(E)-3-(nitromethyl)hept-1-enyl]benzene
CID 134966329
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]octanoic acid
CID 146374482
N',N'-dibutyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine;dihydrochloride
CID 17214509
(E)-4-chloro-3-hydroxy-1-phenylnon-1-en-5-one
CID 11242590
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
[(Z)-3-butan-2-ylnon-1-enyl]benzene
CID 143094188
N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide
CID 42696067

Frequently Asked Questions

What is the IUPAC name of (E)-2-(dibutylamino)-4-phenylbut-3-enal?
The IUPAC name of (E)-2-(dibutylamino)-4-phenylbut-3-enal (CID 87921406) is (E)-2-(dibutylamino)-4-phenylbut-3-enal.
What is the SMILES notation for (E)-2-(dibutylamino)-4-phenylbut-3-enal?
The canonical SMILES for (E)-2-(dibutylamino)-4-phenylbut-3-enal is CCCCN(CCCC)C(C=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-(dibutylamino)-4-phenylbut-3-enal?
The InChIKey is ZBSLDVYKTMVJGA-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-5-14-19(15-6-4-2)18(16-20)13-12-17-10-8-7-9-11-17/h7-13,16,18H,3-6,14-15H2,1-2H3/b13-12+.
What are the key properties of (E)-2-(dibutylamino)-4-phenylbut-3-enal?
(E)-2-(dibutylamino)-4-phenylbut-3-enal has a molecular weight of 273.42 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(dibutylamino)-4-phenylbut-3-enal is sourced from PubChem (CID 87921406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).