4-(dibutylamino)benzaldehyde

C15H23NO — CID 605391

IUPAC4-(dibutylamino)benzaldehyde
SMILESCCCCN(CCCC)c1ccc(C=O)cc1
InChIInChI=1S/C15H23NO/c1-3-5-11-16(12-6-4-2)15-9-7-14(13-17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyVNWPLOWYHIDMEB-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.91
Rot. Bonds8

About 4-(dibutylamino)benzaldehyde

4-(dibutylamino)benzaldehyde (PubChem CID 605391) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(dibutylamino)benzaldehyde.

Molecular Properties

Compound Name4-(dibutylamino)benzaldehyde
PubChem CID605391
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-(dibutylamino)benzaldehyde
SMILESCCCCN(CCCC)c1ccc(C=O)cc1
InChIInChI=1S/C15H23NO/c1-3-5-11-16(12-6-4-2)15-9-7-14(13-17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyVNWPLOWYHIDMEB-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.91
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

4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde
CID 87586742
4-[pentyl(prop-2-enyl)amino]benzaldehyde
CID 88509633
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
4-[N-[5-(dibutylamino)pentyl]-4-formylanilino]benzaldehyde
CID 88511244
N,N-dibutyl-4-methanehydrazonoylaniline
CID 168529188
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
2,5-bis[[4-(dibutylamino)phenyl]methylidene]cyclopentan-1-one
CID 69436627
4-[ethyl(2-ethylhexyl)amino]benzaldehyde
CID 87492667
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)benzaldehyde?
The IUPAC name of 4-(dibutylamino)benzaldehyde (CID 605391) is 4-(dibutylamino)benzaldehyde.
What is the SMILES notation for 4-(dibutylamino)benzaldehyde?
The canonical SMILES for 4-(dibutylamino)benzaldehyde is CCCCN(CCCC)c1ccc(C=O)cc1.
What is the InChIKey of 4-(dibutylamino)benzaldehyde?
The InChIKey is VNWPLOWYHIDMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-11-16(12-6-4-2)15-9-7-14(13-17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 4-(dibutylamino)benzaldehyde?
4-(dibutylamino)benzaldehyde has a molecular weight of 233.36 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)benzaldehyde is sourced from PubChem (CID 605391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).