4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde

C19H31NO5 — CID 87586742

IUPAC4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde
SMILESCCCCN(CCOCCOCCOCCO)c1ccc(C=O)cc1
InChIInChI=1S/C19H31NO5/c1-2-3-8-20(19-6-4-18(17-22)5-7-19)9-11-23-13-15-25-16-14-24-12-10-21/h4-7,17,21H,2-3,8-16H2,1H3
InChIKeyMFQGWWPJGCVGJC-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.15
Rot. Bonds16

About 4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde

4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde (PubChem CID 87586742) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde.

Molecular Properties

Compound Name4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde
PubChem CID87586742
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC Name4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde
SMILESCCCCN(CCOCCOCCOCCO)c1ccc(C=O)cc1
InChIInChI=1S/C19H31NO5/c1-2-3-8-20(19-6-4-18(17-22)5-7-19)9-11-23-13-15-25-16-14-24-12-10-21/h4-7,17,21H,2-3,8-16H2,1H3
InChIKeyMFQGWWPJGCVGJC-UHFFFAOYSA-N
XLogP2.15
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-(dibutylamino)benzaldehyde
CID 605391
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
4-[2-(2-aminoethoxy)ethyl-ethylamino]benzaldehyde
CID 154967536
benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol
CID 87586745
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
4-[pentyl(prop-2-enyl)amino]benzaldehyde
CID 88509633
N,N-dibutyl-4-methanehydrazonoylaniline
CID 168529188
2-[2-[2-[2-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 134252023
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
2,5-bis[[4-(dibutylamino)phenyl]methylidene]cyclopentan-1-one
CID 69436627
4-formylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 175368400

Frequently Asked Questions

What is the IUPAC name of 4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde?
The IUPAC name of 4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde (CID 87586742) is 4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde.
What is the SMILES notation for 4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde?
The canonical SMILES for 4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde is CCCCN(CCOCCOCCOCCO)c1ccc(C=O)cc1.
What is the InChIKey of 4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde?
The InChIKey is MFQGWWPJGCVGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO5/c1-2-3-8-20(19-6-4-18(17-22)5-7-19)9-11-23-13-15-25-16-14-24-12-10-21/h4-7,17,21H,2-3,8-16H2,1H3.
What are the key properties of 4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde?
4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde has a molecular weight of 353.46 g/mol, XLogP of 2.15, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]benzaldehyde is sourced from PubChem (CID 87586742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).