4-[pentyl(prop-2-enyl)amino]benzaldehyde

C15H21NO — CID 88509633

IUPAC4-[pentyl(prop-2-enyl)amino]benzaldehyde
SMILESC=CCN(CCCCC)c1ccc(C=O)cc1
InChIInChI=1S/C15H21NO/c1-3-5-6-12-16(11-4-2)15-9-7-14(13-17)8-10-15/h4,7-10,13H,2-3,5-6,11-12H2,1H3
InChIKeyMAEDXUYYTDCIRM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.68
Rot. Bonds8

About 4-[pentyl(prop-2-enyl)amino]benzaldehyde

4-[pentyl(prop-2-enyl)amino]benzaldehyde (PubChem CID 88509633) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[pentyl(prop-2-enyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[pentyl(prop-2-enyl)amino]benzaldehyde
PubChem CID88509633
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-[pentyl(prop-2-enyl)amino]benzaldehyde
SMILESC=CCN(CCCCC)c1ccc(C=O)cc1
InChIInChI=1S/C15H21NO/c1-3-5-6-12-16(11-4-2)15-9-7-14(13-17)8-10-15/h4,7-10,13H,2-3,5-6,11-12H2,1H3
InChIKeyMAEDXUYYTDCIRM-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dibutylamino)benzaldehyde
CID 605391
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
4-[N-[5-(dibutylamino)pentyl]-4-formylanilino]benzaldehyde
CID 88511244
4-[methyl(prop-2-enyl)amino]benzaldehyde
CID 71347762
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde
CID 87586742
3-[4-(diethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317527
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
4-[ethyl(2-ethylhexyl)amino]benzaldehyde
CID 87492667

Frequently Asked Questions

What is the IUPAC name of 4-[pentyl(prop-2-enyl)amino]benzaldehyde?
The IUPAC name of 4-[pentyl(prop-2-enyl)amino]benzaldehyde (CID 88509633) is 4-[pentyl(prop-2-enyl)amino]benzaldehyde.
What is the SMILES notation for 4-[pentyl(prop-2-enyl)amino]benzaldehyde?
The canonical SMILES for 4-[pentyl(prop-2-enyl)amino]benzaldehyde is C=CCN(CCCCC)c1ccc(C=O)cc1.
What is the InChIKey of 4-[pentyl(prop-2-enyl)amino]benzaldehyde?
The InChIKey is MAEDXUYYTDCIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-6-12-16(11-4-2)15-9-7-14(13-17)8-10-15/h4,7-10,13H,2-3,5-6,11-12H2,1H3.
What are the key properties of 4-[pentyl(prop-2-enyl)amino]benzaldehyde?
4-[pentyl(prop-2-enyl)amino]benzaldehyde has a molecular weight of 231.34 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[pentyl(prop-2-enyl)amino]benzaldehyde is sourced from PubChem (CID 88509633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).