4-(nonadecylamino)benzaldehyde

C26H45NO — CID 20556317

IUPAC4-(nonadecylamino)benzaldehyde
SMILESCCCCCCCCCCCCCCCCCCCNc1ccc(C=O)cc1
InChIInChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-26-21-19-25(24-28)20-22-26/h19-22,24,27H,2-18,23H2,1H3
InChIKeyMXWLONZHIRHHMY-UHFFFAOYSA-N
MW387.65 g/mol
LogP8.56
Rot. Bonds20

About 4-(nonadecylamino)benzaldehyde

4-(nonadecylamino)benzaldehyde (PubChem CID 20556317) has the molecular formula C26H45NO and a molecular weight of 387.65 g/mol. Its IUPAC name is 4-(nonadecylamino)benzaldehyde.

Molecular Properties

Compound Name4-(nonadecylamino)benzaldehyde
PubChem CID20556317
Molecular FormulaC26H45NO
Molecular Weight387.65 g/mol
Exact Mass387.35
IUPAC Name4-(nonadecylamino)benzaldehyde
SMILESCCCCCCCCCCCCCCCCCCCNc1ccc(C=O)cc1
InChIInChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-26-21-19-25(24-28)20-22-26/h19-22,24,27H,2-18,23H2,1H3
InChIKeyMXWLONZHIRHHMY-UHFFFAOYSA-N
XLogP8.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.65
LogP ≤ 58.56
H-Bond Donors ≤ 51
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

(E)-3-[4-(tetradecylamino)phenyl]prop-2-enal
CID 88747551
4-[7-(trifluoromethyl)undecylamino]benzaldehyde
CID 20549309
ethyl 6-(4-formylanilino)hexanoate
CID 22448233
4-fluoro-N-heptylaniline
CID 43129312
4-methyl-N-octylaniline
CID 11816856
benzaldehyde;N-hexylhexan-1-amine
CID 87442359
4-[(Z)-2-(4-nitrophenyl)ethenyl]-N-octadecylaniline
CID 51056058
N-nonadecylaniline
CID 54509054
ethane;N-ethylpentan-1-amine;4-fluorobenzaldehyde
CID 142816956
4-methylsulfonyl-N-nonylaniline
CID 43129285
3-nitro-4-(octylamino)benzaldehyde
CID 83108802
4-formyl-N-octylbenzamide
CID 59691779

Frequently Asked Questions

What is the IUPAC name of 4-(nonadecylamino)benzaldehyde?
The IUPAC name of 4-(nonadecylamino)benzaldehyde (CID 20556317) is 4-(nonadecylamino)benzaldehyde.
What is the SMILES notation for 4-(nonadecylamino)benzaldehyde?
The canonical SMILES for 4-(nonadecylamino)benzaldehyde is CCCCCCCCCCCCCCCCCCCNc1ccc(C=O)cc1.
What is the InChIKey of 4-(nonadecylamino)benzaldehyde?
The InChIKey is MXWLONZHIRHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-26-21-19-25(24-28)20-22-26/h19-22,24,27H,2-18,23H2,1H3.
What are the key properties of 4-(nonadecylamino)benzaldehyde?
4-(nonadecylamino)benzaldehyde has a molecular weight of 387.65 g/mol, XLogP of 8.56, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(nonadecylamino)benzaldehyde is sourced from PubChem (CID 20556317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).