6-(dicyclohexylamino)-6-oxohexanoic acid

C18H31NO3 — CID 21156363

IUPAC6-(dicyclohexylamino)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31NO3/c20-17(13-7-8-14-18(21)22)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16H,1-14H2,(H,21,22)
InChIKeyDITGHHOFKKPYHF-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.13
Rot. Bonds7

About 6-(dicyclohexylamino)-6-oxohexanoic acid

6-(dicyclohexylamino)-6-oxohexanoic acid (PubChem CID 21156363) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 6-(dicyclohexylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(dicyclohexylamino)-6-oxohexanoic acid
PubChem CID21156363
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name6-(dicyclohexylamino)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31NO3/c20-17(13-7-8-14-18(21)22)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16H,1-14H2,(H,21,22)
InChIKeyDITGHHOFKKPYHF-UHFFFAOYSA-N
XLogP4.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(dicyclohexylamino)-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

Related Compounds

Adipic acid bishexylamide
CID 129826738
4-(Dicyclohexylamino)-4-oxobutanoic acid
CID 586586
Hexanedioic acid biscyclopentylamide
CID 129705782
5-(Dicyclohexylamino)-5-oxopentanoic acid
CID 4326708
5-Diethylcarbamoyl-pentanoic acid
CID 11356126
6-Oxo-6-(piperidin-1-yl)hexanoic acid
CID 14399274
6-[Hexyl(methyl)amino]-6-oxohexanoic acid
CID 19895352
6-(Dipropylamino)-6-oxohexanoic acid
CID 43447159
6-(Dibutylamino)-6-oxohexanoic acid
CID 43447217
6-[Ethyl(propanoyl)amino]hexanoic acid
CID 59685124
Hexanedioic acid bis-pentylamide
CID 60948821
N-cyclohexyl-N-methylcyclohexanamine;pentanoic acid
CID 68631042

Frequently Asked Questions

What is the IUPAC name of 6-(dicyclohexylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(dicyclohexylamino)-6-oxohexanoic acid (CID 21156363) is 6-(dicyclohexylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(dicyclohexylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(dicyclohexylamino)-6-oxohexanoic acid is O=C(O)CCCCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 6-(dicyclohexylamino)-6-oxohexanoic acid?
The InChIKey is DITGHHOFKKPYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c20-17(13-7-8-14-18(21)22)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16H,1-14H2,(H,21,22).
What are the key properties of 6-(dicyclohexylamino)-6-oxohexanoic acid?
6-(dicyclohexylamino)-6-oxohexanoic acid has a molecular weight of 309.45 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dicyclohexylamino)-6-oxohexanoic acid is sourced from PubChem (CID 21156363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).