6-(dibutylamino)naphthalene-1-carboxylic acid

C19H25NO2 — CID 69135598

IUPAC6-(dibutylamino)naphthalene-1-carboxylic acid
SMILESCCCCN(CCCC)c1ccc2c(C(=O)O)cccc2c1
InChIInChI=1S/C19H25NO2/c1-3-5-12-20(13-6-4-2)16-10-11-17-15(14-16)8-7-9-18(17)19(21)22/h7-11,14H,3-6,12-13H2,1-2H3,(H,21,22)
InChIKeyRXLXCTLAIODAOF-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.94
Rot. Bonds8

About 6-(dibutylamino)naphthalene-1-carboxylic acid

6-(dibutylamino)naphthalene-1-carboxylic acid (PubChem CID 69135598) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 6-(dibutylamino)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6-(dibutylamino)naphthalene-1-carboxylic acid
PubChem CID69135598
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name6-(dibutylamino)naphthalene-1-carboxylic acid
SMILESCCCCN(CCCC)c1ccc2c(C(=O)O)cccc2c1
InChIInChI=1S/C19H25NO2/c1-3-5-12-20(13-6-4-2)16-10-11-17-15(14-16)8-7-9-18(17)19(21)22/h7-11,14H,3-6,12-13H2,1-2H3,(H,21,22)
InChIKeyRXLXCTLAIODAOF-UHFFFAOYSA-N
XLogP4.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dibutylamino)-2-fluorobenzoic acid
CID 113319789
1-[7-(dihexylamino)anthracen-1-yl]propan-1-one
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4-(dioctylamino)phthalic acid
CID 20818058
2-[butyl-[2-(N-butyl-2-carboxyanilino)ethyl]amino]benzoic acid
CID 13212636
2-[[4-(dibutylamino)-2-hydroxyphenyl]methyl]benzoic acid
CID 150857297
3-amino-2-[(2-amino-2-oxoethyl)-butylamino]benzoic acid
CID 112578598
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092
3-(dihexylamino)benzoic acid
CID 139785875
2-[2-(dibutylamino)benzoyl]benzoic acid
CID 23182045
4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
CID 62701815
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976

Frequently Asked Questions

What is the IUPAC name of 6-(dibutylamino)naphthalene-1-carboxylic acid?
The IUPAC name of 6-(dibutylamino)naphthalene-1-carboxylic acid (CID 69135598) is 6-(dibutylamino)naphthalene-1-carboxylic acid.
What is the SMILES notation for 6-(dibutylamino)naphthalene-1-carboxylic acid?
The canonical SMILES for 6-(dibutylamino)naphthalene-1-carboxylic acid is CCCCN(CCCC)c1ccc2c(C(=O)O)cccc2c1.
What is the InChIKey of 6-(dibutylamino)naphthalene-1-carboxylic acid?
The InChIKey is RXLXCTLAIODAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-5-12-20(13-6-4-2)16-10-11-17-15(14-16)8-7-9-18(17)19(21)22/h7-11,14H,3-6,12-13H2,1-2H3,(H,21,22).
What are the key properties of 6-(dibutylamino)naphthalene-1-carboxylic acid?
6-(dibutylamino)naphthalene-1-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibutylamino)naphthalene-1-carboxylic acid is sourced from PubChem (CID 69135598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).