6-(hexylamino)hexanoic acid

C12H25NO2 — CID 18001086

IUPAC6-(hexylamino)hexanoic acid
SMILESCCCCCCNCCCCCC(=O)O
InChIInChI=1S/C12H25NO2/c1-2-3-4-7-10-13-11-8-5-6-9-12(14)15/h13H,2-11H2,1H3,(H,14,15)
InChIKeyUOJPMCQETRVUDB-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.80
Rot. Bonds11

About 6-(hexylamino)hexanoic acid

6-(hexylamino)hexanoic acid (PubChem CID 18001086) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-(hexylamino)hexanoic acid.

Molecular Properties

Compound Name6-(hexylamino)hexanoic acid
PubChem CID18001086
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name6-(hexylamino)hexanoic acid
SMILESCCCCCCNCCCCCC(=O)O
InChIInChI=1S/C12H25NO2/c1-2-3-4-7-10-13-11-8-5-6-9-12(14)15/h13H,2-11H2,1H3,(H,14,15)
InChIKeyUOJPMCQETRVUDB-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(hexylamino)hexanoic 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

6-(hentetracontylamino)hexanoic acid
CID 146291055
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
7-(nonylamino)heptanoic acid;hydrobromide
CID 71399860
N-butylbutan-1-amine;octanoic acid
CID 53326963
N-butylbutan-1-amine;decanedioic acid
CID 159923840
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
5-(butylamino)pentanoic acid;silver
CID 174567660
azane;3-(dodecylamino)propanoic acid
CID 174643455

Frequently Asked Questions

What is the IUPAC name of 6-(hexylamino)hexanoic acid?
The IUPAC name of 6-(hexylamino)hexanoic acid (CID 18001086) is 6-(hexylamino)hexanoic acid.
What is the SMILES notation for 6-(hexylamino)hexanoic acid?
The canonical SMILES for 6-(hexylamino)hexanoic acid is CCCCCCNCCCCCC(=O)O.
What is the InChIKey of 6-(hexylamino)hexanoic acid?
The InChIKey is UOJPMCQETRVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-3-4-7-10-13-11-8-5-6-9-12(14)15/h13H,2-11H2,1H3,(H,14,15).
What are the key properties of 6-(hexylamino)hexanoic acid?
6-(hexylamino)hexanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.80, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexylamino)hexanoic acid is sourced from PubChem (CID 18001086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).