3-amino-4-(dibutylamino)benzoic acid

C15H24N2O2 — CID 22096622

IUPAC3-amino-4-(dibutylamino)benzoic acid
SMILESCCCCN(CCCC)c1ccc(C(=O)O)cc1N
InChIInChI=1S/C15H24N2O2/c1-3-5-9-17(10-6-4-2)14-8-7-12(15(18)19)11-13(14)16/h7-8,11H,3-6,9-10,16H2,1-2H3,(H,18,19)
InChIKeyGQXVIKNHVLYPNJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.37
Rot. Bonds8

About 3-amino-4-(dibutylamino)benzoic acid

3-amino-4-(dibutylamino)benzoic acid (PubChem CID 22096622) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-4-(dibutylamino)benzoic acid.

Molecular Properties

Compound Name3-amino-4-(dibutylamino)benzoic acid
PubChem CID22096622
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-4-(dibutylamino)benzoic acid
SMILESCCCCN(CCCC)c1ccc(C(=O)O)cc1N
InChIInChI=1S/C15H24N2O2/c1-3-5-9-17(10-6-4-2)14-8-7-12(15(18)19)11-13(14)16/h7-8,11H,3-6,9-10,16H2,1-2H3,(H,18,19)
InChIKeyGQXVIKNHVLYPNJ-UHFFFAOYSA-N
XLogP3.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(dibutylamino)benzamide
CID 43448369
3-amino-4-[ethyl(3-fluoropropyl)amino]benzoic acid
CID 81105948
3-amino-4-[heptyl(methyl)amino]benzoic acid
CID 63117413
3-amino-4-[butyl(ethyl)amino]-N-methylbenzamide
CID 82989107
3-amino-4-[[2-(butylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 63119071
3-amino-4-[ethyl(2-ethylsulfonylethyl)amino]benzoic acid
CID 63119018
4-amino-3-(dipropylamino)benzoic acid
CID 82791278
3-amino-4-[ethyl(methyl)amino]benzoic acid
CID 60990166
3-amino-4-[bis(2-amino-2-oxoethyl)amino]benzoic acid
CID 55154919
3-amino-4-[(2-amino-2-oxoethyl)-butylamino]-N-methylbenzamide
CID 82988450
3-amino-4-[ethyl(3-imidazol-1-ylpropyl)amino]benzoic acid
CID 63118963
3-amino-4-[ethyl-[(4-methylphenyl)methyl]amino]benzoic acid
CID 63119000

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dibutylamino)benzoic acid?
The IUPAC name of 3-amino-4-(dibutylamino)benzoic acid (CID 22096622) is 3-amino-4-(dibutylamino)benzoic acid.
What is the SMILES notation for 3-amino-4-(dibutylamino)benzoic acid?
The canonical SMILES for 3-amino-4-(dibutylamino)benzoic acid is CCCCN(CCCC)c1ccc(C(=O)O)cc1N.
What is the InChIKey of 3-amino-4-(dibutylamino)benzoic acid?
The InChIKey is GQXVIKNHVLYPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-5-9-17(10-6-4-2)14-8-7-12(15(18)19)11-13(14)16/h7-8,11H,3-6,9-10,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-4-(dibutylamino)benzoic acid?
3-amino-4-(dibutylamino)benzoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dibutylamino)benzoic acid is sourced from PubChem (CID 22096622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).