6-(dibutylamino)-6-oxohexanoic acid

C14H27NO3 — CID 43447217

IUPAC6-(dibutylamino)-6-oxohexanoic acid
SMILESCCCCN(CCCC)C(=O)CCCCC(=O)O
InChIInChI=1S/C14H27NO3/c1-3-5-11-15(12-6-4-2)13(16)9-7-8-10-14(17)18/h3-12H2,1-2H3,(H,17,18)
InChIKeyYCLYBSLBGXRIMS-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.06
Rot. Bonds11

About 6-(dibutylamino)-6-oxohexanoic acid

6-(dibutylamino)-6-oxohexanoic acid (PubChem CID 43447217) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 6-(dibutylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(dibutylamino)-6-oxohexanoic acid
PubChem CID43447217
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name6-(dibutylamino)-6-oxohexanoic acid
SMILESCCCCN(CCCC)C(=O)CCCCC(=O)O
InChIInChI=1S/C14H27NO3/c1-3-5-11-15(12-6-4-2)13(16)9-7-8-10-14(17)18/h3-12H2,1-2H3,(H,17,18)
InChIKeyYCLYBSLBGXRIMS-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(dibutylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(dibutylamino)-6-oxohexanoic acid (CID 43447217) is 6-(dibutylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(dibutylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(dibutylamino)-6-oxohexanoic acid is CCCCN(CCCC)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-(dibutylamino)-6-oxohexanoic acid?
The InChIKey is YCLYBSLBGXRIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-5-11-15(12-6-4-2)13(16)9-7-8-10-14(17)18/h3-12H2,1-2H3,(H,17,18).
What are the key properties of 6-(dibutylamino)-6-oxohexanoic acid?
6-(dibutylamino)-6-oxohexanoic acid has a molecular weight of 257.37 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibutylamino)-6-oxohexanoic acid is sourced from PubChem (CID 43447217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).