4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline

C31H48N2O — CID 158914965

IUPAC4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
SMILESC=Cc1ccc(N(CCCC)CCCC)cc1.CCCCN(CCCC)c1ccc(C=O)cc1
InChIInChI=1S/C16H25N.C15H23NO/c1-4-7-13-17(14-8-5-2)16-11-9-15(6-3)10-12-16;1-3-5-11-16(12-6-4-2)15-9-7-14(13-17)8-10-15/h6,9-12H,3-5,7-8,13-14H2,1-2H3;7-10,13H,3-6,11-12H2,1-2H3
InChIKeyJHCSLUKYYQJTOZ-UHFFFAOYSA-N
MW464.74 g/mol
LogP8.64
Rot. Bonds16

About 4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline

4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline (PubChem CID 158914965) has the molecular formula C31H48N2O and a molecular weight of 464.74 g/mol. Its IUPAC name is 4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline.

Molecular Properties

Compound Name4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
PubChem CID158914965
Molecular FormulaC31H48N2O
Molecular Weight464.74 g/mol
Exact Mass464.38
IUPAC Name4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
SMILESC=Cc1ccc(N(CCCC)CCCC)cc1.CCCCN(CCCC)c1ccc(C=O)cc1
InChIInChI=1S/C16H25N.C15H23NO/c1-4-7-13-17(14-8-5-2)16-11-9-15(6-3)10-12-16;1-3-5-11-16(12-6-4-2)15-9-7-14(13-17)8-10-15/h6,9-12H,3-5,7-8,13-14H2,1-2H3;7-10,13H,3-6,11-12H2,1-2H3
InChIKeyJHCSLUKYYQJTOZ-UHFFFAOYSA-N
XLogP8.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.74
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
4-(Bis(2-chloroethyl)amino)benzaldehyde
CID 71018
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-Dimethylaminochalcone
CID 5377268
Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-
CID 5702661
1-benzyl-2,3-dihydro-1H-indole-5-carbaldehyde
CID 927567
4-(Dimethylamino)benzophenone
CID 10737
2-Benzyl-2-(dimethylamino)-1-(4-(morpholin-4-yl)phenyl)butan-1-one
CID 86171
4,4'-(3-Oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenylbenzenaminium) dibromide
CID 9820
2,6-Bis(4-(dimethylamino)benzylidene)-1-cyclohexanone
CID 1550696

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline?
The IUPAC name of 4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline (CID 158914965) is 4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline.
What is the SMILES notation for 4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline?
The canonical SMILES for 4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline is C=Cc1ccc(N(CCCC)CCCC)cc1.CCCCN(CCCC)c1ccc(C=O)cc1.
What is the InChIKey of 4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline?
The InChIKey is JHCSLUKYYQJTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.C15H23NO/c1-4-7-13-17(14-8-5-2)16-11-9-15(6-3)10-12-16;1-3-5-11-16(12-6-4-2)15-9-7-14(13-17)8-10-15/h6,9-12H,3-5,7-8,13-14H2,1-2H3;7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline?
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline has a molecular weight of 464.74 g/mol, XLogP of 8.64, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline is sourced from PubChem (CID 158914965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).