5-(3-aminophenyl)pentanal

C11H15NO — CID 54510654

IUPAC5-(3-aminophenyl)pentanal
SMILESNc1cccc(CCCCC=O)c1
InChIInChI=1S/C11H15NO/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h4,6-9H,1-3,5,12H2
InChIKeyCYHCVEDUWFATEN-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.18
Rot. Bonds5

About 5-(3-aminophenyl)pentanal

5-(3-aminophenyl)pentanal (PubChem CID 54510654) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-(3-aminophenyl)pentanal.

Molecular Properties

Compound Name5-(3-aminophenyl)pentanal
PubChem CID54510654
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-(3-aminophenyl)pentanal
SMILESNc1cccc(CCCCC=O)c1
InChIInChI=1S/C11H15NO/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h4,6-9H,1-3,5,12H2
InChIKeyCYHCVEDUWFATEN-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.18
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-pentylaniline
CID 19911390
2-(3-aminophenyl)-N-(5-oxopentyl)acetamide
CID 59992785
3-docosylaniline
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CID 121009137
3-(12-oxododecyl)benzoic acid
CID 87632066
7-(3-methoxyphenyl)heptanal
CID 86640154
3-(3-aminophenyl)propan-1-ol
CID 10103334
3-(3-fluoropropyl)aniline
CID 83855660
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CID 153398504
8-(3-acetylphenyl)octanal
CID 177486037
5-[4-(4-oxobutyl)phenyl]pentanal
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CID 58530077
CID 58530077

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)pentanal?
The IUPAC name of 5-(3-aminophenyl)pentanal (CID 54510654) is 5-(3-aminophenyl)pentanal.
What is the SMILES notation for 5-(3-aminophenyl)pentanal?
The canonical SMILES for 5-(3-aminophenyl)pentanal is Nc1cccc(CCCCC=O)c1.
What is the InChIKey of 5-(3-aminophenyl)pentanal?
The InChIKey is CYHCVEDUWFATEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h4,6-9H,1-3,5,12H2.
What are the key properties of 5-(3-aminophenyl)pentanal?
5-(3-aminophenyl)pentanal has a molecular weight of 177.25 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)pentanal is sourced from PubChem (CID 54510654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).