3-(tetradec-4-enylamino)benzaldehyde

C21H33NO — CID 54044389

IUPAC3-(tetradec-4-enylamino)benzaldehyde
SMILESCCCCCCCCCC=CCCCNc1cccc(C=O)c1
InChIInChI=1S/C21H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-21-16-14-15-20(18-21)19-23/h10-11,14-16,18-19,22H,2-9,12-13,17H2,1H3
InChIKeyLONOJOGRHLXYCV-UHFFFAOYSA-N
MW315.50 g/mol
LogP6.39
Rot. Bonds14

About 3-(tetradec-4-enylamino)benzaldehyde

3-(tetradec-4-enylamino)benzaldehyde (PubChem CID 54044389) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 3-(tetradec-4-enylamino)benzaldehyde.

Molecular Properties

Compound Name3-(tetradec-4-enylamino)benzaldehyde
PubChem CID54044389
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name3-(tetradec-4-enylamino)benzaldehyde
SMILESCCCCCCCCCC=CCCCNc1cccc(C=O)c1
InChIInChI=1S/C21H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-21-16-14-15-20(18-21)19-23/h10-11,14-16,18-19,22H,2-9,12-13,17H2,1H3
InChIKeyLONOJOGRHLXYCV-UHFFFAOYSA-N
XLogP6.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 56.39
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluoroethylamino)benzaldehyde
CID 84652613
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
4-(nonadecylamino)benzaldehyde
CID 20556317
N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline
CID 54356572
3-(2-methoxyethylamino)benzaldehyde
CID 88893508
4-[[(E)-tetradec-4-enyl]amino]benzoic acid
CID 23334187
N-(3-formylphenyl)butane-1-sulfonamide
CID 87474452
nickel;N-octyl-3-[2-[3-(octylamino)phenyl]iminoethylideneamino]aniline
CID 87876930
3-bromo-N-octylaniline
CID 43129310
3-N-octadecylbenzene-1,3-diamine
CID 154090035
benzaldehyde;N-hexylhexan-1-amine
CID 87442359
1-N-methyl-3-N-pentylbenzene-1,3-diamine
CID 117027123

Frequently Asked Questions

What is the IUPAC name of 3-(tetradec-4-enylamino)benzaldehyde?
The IUPAC name of 3-(tetradec-4-enylamino)benzaldehyde (CID 54044389) is 3-(tetradec-4-enylamino)benzaldehyde.
What is the SMILES notation for 3-(tetradec-4-enylamino)benzaldehyde?
The canonical SMILES for 3-(tetradec-4-enylamino)benzaldehyde is CCCCCCCCCC=CCCCNc1cccc(C=O)c1.
What is the InChIKey of 3-(tetradec-4-enylamino)benzaldehyde?
The InChIKey is LONOJOGRHLXYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-21-16-14-15-20(18-21)19-23/h10-11,14-16,18-19,22H,2-9,12-13,17H2,1H3.
What are the key properties of 3-(tetradec-4-enylamino)benzaldehyde?
3-(tetradec-4-enylamino)benzaldehyde has a molecular weight of 315.50 g/mol, XLogP of 6.39, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetradec-4-enylamino)benzaldehyde is sourced from PubChem (CID 54044389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).