6-(ethylamino)-4,4-dimethylhexanoic acid

C10H21NO2 — CID 65287382

IUPAC6-(ethylamino)-4,4-dimethylhexanoic acid
SMILESCCNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-11-8-7-10(2,3)6-5-9(12)13/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyFNZZBOXDYDFGDR-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.88
Rot. Bonds7

About 6-(ethylamino)-4,4-dimethylhexanoic acid

6-(ethylamino)-4,4-dimethylhexanoic acid (PubChem CID 65287382) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 6-(ethylamino)-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(ethylamino)-4,4-dimethylhexanoic acid
PubChem CID65287382
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name6-(ethylamino)-4,4-dimethylhexanoic acid
SMILESCCNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-11-8-7-10(2,3)6-5-9(12)13/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyFNZZBOXDYDFGDR-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
6-[[3-(ethylamino)-3-oxopropyl]amino]-4,4-dimethylhexanoic acid
CID 65287716
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
6-(decylamino)-4,4-dimethylhexanoic acid
CID 65289065
4,4-dimethyl-6-(nonylamino)hexanoic acid
CID 65287173
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-(but-3-ynylamino)-4,4-dimethylhexanoic acid
CID 65287661
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
6-[(4-ethylphenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287724
6-(3-chloroprop-2-enylamino)-4,4-dimethylhexanoic acid
CID 77064599
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391
6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid
CID 114200371

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-4,4-dimethylhexanoic acid?
The IUPAC name of 6-(ethylamino)-4,4-dimethylhexanoic acid (CID 65287382) is 6-(ethylamino)-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-(ethylamino)-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-(ethylamino)-4,4-dimethylhexanoic acid is CCNCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-(ethylamino)-4,4-dimethylhexanoic acid?
The InChIKey is FNZZBOXDYDFGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-11-8-7-10(2,3)6-5-9(12)13/h11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 6-(ethylamino)-4,4-dimethylhexanoic acid?
6-(ethylamino)-4,4-dimethylhexanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65287382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).