4-aminobenzaldehyde;6-(methylamino)hexanal

C14H22N2O2 — CID 145444574

IUPAC4-aminobenzaldehyde;6-(methylamino)hexanal
SMILESCNCCCCCC=O.Nc1ccc(C=O)cc1
InChIInChI=1S/C7H7NO.C7H15NO/c8-7-3-1-6(5-9)2-4-7;1-8-6-4-2-3-5-7-9/h1-5H,8H2;7-8H,2-6H2,1H3
InChIKeyWGYHKTOQAPCXFH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.05
Rot. Bonds7

About 4-aminobenzaldehyde;6-(methylamino)hexanal

4-aminobenzaldehyde;6-(methylamino)hexanal (PubChem CID 145444574) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-aminobenzaldehyde;6-(methylamino)hexanal.

Molecular Properties

Compound Name4-aminobenzaldehyde;6-(methylamino)hexanal
PubChem CID145444574
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-aminobenzaldehyde;6-(methylamino)hexanal
SMILESCNCCCCCC=O.Nc1ccc(C=O)cc1
InChIInChI=1S/C7H7NO.C7H15NO/c8-7-3-1-6(5-9)2-4-7;1-8-6-4-2-3-5-7-9/h1-5H,8H2;7-8H,2-6H2,1H3
InChIKeyWGYHKTOQAPCXFH-UHFFFAOYSA-N
XLogP2.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 4-aminobenzaldehyde;6-(methylamino)hexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

20-(methylamino)icosanal
CID 177224793
ethane;8-(methylamino)octanal
CID 164864481
ethane;9-(methylamino)nonanal
CID 164864319
4-aminobenzaldehyde
CID 174906134
4-aminobenzaldehyde;ethene
CID 22154861
6-(but-1-en-2-ylamino)hexanal;ethane;4-(methylamino)benzaldehyde;4-[7-(methylamino)hept-1-en-2-ylamino]benzaldehyde;propanal
CID 143199113
4-(4-aminophenyl)benzaldehyde
CID 1393544
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
methanol;2-methoxy-2-methylpropane;4-(11-oxoundecoxy)benzaldehyde
CID 178135868
4-(9-oxononoxymethyl)benzaldehyde
CID 10754947
4-(nonadecylamino)benzaldehyde
CID 20556317

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzaldehyde;6-(methylamino)hexanal?
The IUPAC name of 4-aminobenzaldehyde;6-(methylamino)hexanal (CID 145444574) is 4-aminobenzaldehyde;6-(methylamino)hexanal.
What is the SMILES notation for 4-aminobenzaldehyde;6-(methylamino)hexanal?
The canonical SMILES for 4-aminobenzaldehyde;6-(methylamino)hexanal is CNCCCCCC=O.Nc1ccc(C=O)cc1.
What is the InChIKey of 4-aminobenzaldehyde;6-(methylamino)hexanal?
The InChIKey is WGYHKTOQAPCXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C7H15NO/c8-7-3-1-6(5-9)2-4-7;1-8-6-4-2-3-5-7-9/h1-5H,8H2;7-8H,2-6H2,1H3.
What are the key properties of 4-aminobenzaldehyde;6-(methylamino)hexanal?
4-aminobenzaldehyde;6-(methylamino)hexanal has a molecular weight of 250.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzaldehyde;6-(methylamino)hexanal is sourced from PubChem (CID 145444574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).