5-[4-(diethylamino)anilino]pentanoic acid

C15H24N2O2 — CID 63180274

IUPAC5-[4-(diethylamino)anilino]pentanoic acid
SMILESCCN(CC)c1ccc(NCCCCC(=O)O)cc1
InChIInChI=1S/C15H24N2O2/c1-3-17(4-2)14-10-8-13(9-11-14)16-12-6-5-7-15(18)19/h8-11,16H,3-7,12H2,1-2H3,(H,18,19)
InChIKeyDPUBFWQEIXPONA-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.20
Rot. Bonds9

About 5-[4-(diethylamino)anilino]pentanoic acid

5-[4-(diethylamino)anilino]pentanoic acid (PubChem CID 63180274) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[4-(diethylamino)anilino]pentanoic acid.

Molecular Properties

Compound Name5-[4-(diethylamino)anilino]pentanoic acid
PubChem CID63180274
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-[4-(diethylamino)anilino]pentanoic acid
SMILESCCN(CC)c1ccc(NCCCCC(=O)O)cc1
InChIInChI=1S/C15H24N2O2/c1-3-17(4-2)14-10-8-13(9-11-14)16-12-6-5-7-15(18)19/h8-11,16H,3-7,12H2,1-2H3,(H,18,19)
InChIKeyDPUBFWQEIXPONA-UHFFFAOYSA-N
XLogP3.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
5-anilinopentanoic acid
CID 28972030
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031382
4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
CID 43680115
4-N,4-N-diethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 115513702
6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
CID 43453874
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
3-[4-(diethylamino)-N-propylanilino]propanoic acid
CID 82317732
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
(Z)-4-[4-(diethylamino)anilino]-2-ethylbut-2-enoic acid
CID 103250381
5-(4-propan-2-ylsulfanylanilino)pentanoic acid
CID 115218894

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)anilino]pentanoic acid?
The IUPAC name of 5-[4-(diethylamino)anilino]pentanoic acid (CID 63180274) is 5-[4-(diethylamino)anilino]pentanoic acid.
What is the SMILES notation for 5-[4-(diethylamino)anilino]pentanoic acid?
The canonical SMILES for 5-[4-(diethylamino)anilino]pentanoic acid is CCN(CC)c1ccc(NCCCCC(=O)O)cc1.
What is the InChIKey of 5-[4-(diethylamino)anilino]pentanoic acid?
The InChIKey is DPUBFWQEIXPONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17(4-2)14-10-8-13(9-11-14)16-12-6-5-7-15(18)19/h8-11,16H,3-7,12H2,1-2H3,(H,18,19).
What are the key properties of 5-[4-(diethylamino)anilino]pentanoic acid?
5-[4-(diethylamino)anilino]pentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)anilino]pentanoic acid is sourced from PubChem (CID 63180274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).