4-[4-[ethyl(propyl)amino]butyl]benzaldehyde

C16H25NO — CID 142783933

IUPAC4-[4-[ethyl(propyl)amino]butyl]benzaldehyde
SMILESCCCN(CC)CCCCc1ccc(C=O)cc1
InChIInChI=1S/C16H25NO/c1-3-12-17(4-2)13-6-5-7-15-8-10-16(14-18)11-9-15/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeySOKCCWAXTWFBLK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds9

About 4-[4-[ethyl(propyl)amino]butyl]benzaldehyde

4-[4-[ethyl(propyl)amino]butyl]benzaldehyde (PubChem CID 142783933) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[4-[ethyl(propyl)amino]butyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[ethyl(propyl)amino]butyl]benzaldehyde
PubChem CID142783933
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[4-[ethyl(propyl)amino]butyl]benzaldehyde
SMILESCCCN(CC)CCCCc1ccc(C=O)cc1
InChIInChI=1S/C16H25NO/c1-3-12-17(4-2)13-6-5-7-15-8-10-16(14-18)11-9-15/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeySOKCCWAXTWFBLK-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
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'}

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Related Compounds

ethane;4-pentylbenzaldehyde
CID 143882863
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine
CID 68519226
4-(4-hexylphenoxy)benzaldehyde
CID 142415162
4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide
CID 58300403
4-(4-butylphenoxy)benzaldehyde
CID 10824839
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
CID 173447970
6-[4-(aminomethyl)phenyl]-N,N-dipropylhexan-1-amine;5-methylfuran-2-carbaldehyde
CID 123783176
N-methyl-4-nonadec-1-enyl-N-octadecylaniline;N-methyl-4-nonadecyl-N-octadecylaniline;4-[methyl(octadecyl)amino]benzaldehyde
CID 160695648
4-(7-methyloctyl)benzaldehyde
CID 173431651
heptane;4-(2-hydroxyethyl)benzaldehyde
CID 158446902
4-[1-(4-butylphenyl)ethenyl]benzaldehyde
CID 87673195

Frequently Asked Questions

What is the IUPAC name of 4-[4-[ethyl(propyl)amino]butyl]benzaldehyde?
The IUPAC name of 4-[4-[ethyl(propyl)amino]butyl]benzaldehyde (CID 142783933) is 4-[4-[ethyl(propyl)amino]butyl]benzaldehyde.
What is the SMILES notation for 4-[4-[ethyl(propyl)amino]butyl]benzaldehyde?
The canonical SMILES for 4-[4-[ethyl(propyl)amino]butyl]benzaldehyde is CCCN(CC)CCCCc1ccc(C=O)cc1.
What is the InChIKey of 4-[4-[ethyl(propyl)amino]butyl]benzaldehyde?
The InChIKey is SOKCCWAXTWFBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-12-17(4-2)13-6-5-7-15-8-10-16(14-18)11-9-15/h8-11,14H,3-7,12-13H2,1-2H3.
What are the key properties of 4-[4-[ethyl(propyl)amino]butyl]benzaldehyde?
4-[4-[ethyl(propyl)amino]butyl]benzaldehyde has a molecular weight of 247.38 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[ethyl(propyl)amino]butyl]benzaldehyde is sourced from PubChem (CID 142783933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).