6-(dipentylamino)-6-oxohexanoic acid

C16H31NO3 — CID 60948821

IUPAC6-(dipentylamino)-6-oxohexanoic acid
SMILESCCCCCN(CCCCC)C(=O)CCCCC(=O)O
InChIInChI=1S/C16H31NO3/c1-3-5-9-13-17(14-10-6-4-2)15(18)11-7-8-12-16(19)20/h3-14H2,1-2H3,(H,19,20)
InChIKeyDODNKEGHSNUZHD-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.84
Rot. Bonds13

About 6-(dipentylamino)-6-oxohexanoic acid

6-(dipentylamino)-6-oxohexanoic acid (PubChem CID 60948821) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 6-(dipentylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(dipentylamino)-6-oxohexanoic acid
PubChem CID60948821
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name6-(dipentylamino)-6-oxohexanoic acid
SMILESCCCCCN(CCCCC)C(=O)CCCCC(=O)O
InChIInChI=1S/C16H31NO3/c1-3-5-9-13-17(14-10-6-4-2)15(18)11-7-8-12-16(19)20/h3-14H2,1-2H3,(H,19,20)
InChIKeyDODNKEGHSNUZHD-UHFFFAOYSA-N
XLogP3.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(dipentylamino)-6-oxohexanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dipentylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(dipentylamino)-6-oxohexanoic acid (CID 60948821) is 6-(dipentylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(dipentylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(dipentylamino)-6-oxohexanoic acid is CCCCCN(CCCCC)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-(dipentylamino)-6-oxohexanoic acid?
The InChIKey is DODNKEGHSNUZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-5-9-13-17(14-10-6-4-2)15(18)11-7-8-12-16(19)20/h3-14H2,1-2H3,(H,19,20).
What are the key properties of 6-(dipentylamino)-6-oxohexanoic acid?
6-(dipentylamino)-6-oxohexanoic acid has a molecular weight of 285.43 g/mol, XLogP of 3.84, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipentylamino)-6-oxohexanoic acid is sourced from PubChem (CID 60948821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).