4-(4-aminophenyl)hexanal

C12H17NO — CID 54258952

IUPAC4-(4-aminophenyl)hexanal
SMILESCCC(CCC=O)c1ccc(N)cc1
InChIInChI=1S/C12H17NO/c1-2-10(4-3-9-14)11-5-7-12(13)8-6-11/h5-10H,2-4,13H2,1H3
InChIKeyYNTWRYADFTYVQU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.74
Rot. Bonds5

About 4-(4-aminophenyl)hexanal

4-(4-aminophenyl)hexanal (PubChem CID 54258952) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(4-aminophenyl)hexanal.

Molecular Properties

Compound Name4-(4-aminophenyl)hexanal
PubChem CID54258952
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(4-aminophenyl)hexanal
SMILESCCC(CCC=O)c1ccc(N)cc1
InChIInChI=1S/C12H17NO/c1-2-10(4-3-9-14)11-5-7-12(13)8-6-11/h5-10H,2-4,13H2,1H3
InChIKeyYNTWRYADFTYVQU-UHFFFAOYSA-N
XLogP2.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylphenyl)heptanal
CID 3023975
4-[1-(methylamino)pentan-3-yl]aniline
CID 142395580
3-(4-pentan-3-ylphenyl)propanal
CID 117292920
5-phenylheptanal
CID 22053894
(4R)-5-(4-aminophenyl)-4-methylpentanal
CID 90273765
4-hexan-3-ylbenzaldehyde
CID 142249319
(4R)-4-(2-methylphenyl)hexanal
CID 102442403
3-(4-aminophenyl)butanal
CID 143206837
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
CID 134463641
4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
4-[(Z)-non-6-en-4-yl]aniline
CID 112718062
4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline
CID 18976753

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)hexanal?
The IUPAC name of 4-(4-aminophenyl)hexanal (CID 54258952) is 4-(4-aminophenyl)hexanal.
What is the SMILES notation for 4-(4-aminophenyl)hexanal?
The canonical SMILES for 4-(4-aminophenyl)hexanal is CCC(CCC=O)c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)hexanal?
The InChIKey is YNTWRYADFTYVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-10(4-3-9-14)11-5-7-12(13)8-6-11/h5-10H,2-4,13H2,1H3.
What are the key properties of 4-(4-aminophenyl)hexanal?
4-(4-aminophenyl)hexanal has a molecular weight of 191.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)hexanal is sourced from PubChem (CID 54258952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).