6-ethylimino-3,4,5-trimethylhexanoic acid

C11H21NO2 — CID 175448924

IUPAC6-ethylimino-3,4,5-trimethylhexanoic acid
SMILESCC/N=C/C(C)C(C)C(C)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-5-12-7-9(3)10(4)8(2)6-11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14)/b12-7+
InChIKeyONJUMNHVBFXLEX-KPKJPENVSA-N
MW199.29 g/mol
LogP2.46
Rot. Bonds6

About 6-ethylimino-3,4,5-trimethylhexanoic acid

6-ethylimino-3,4,5-trimethylhexanoic acid (PubChem CID 175448924) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-ethylimino-3,4,5-trimethylhexanoic acid.

Molecular Properties

Compound Name6-ethylimino-3,4,5-trimethylhexanoic acid
PubChem CID175448924
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-ethylimino-3,4,5-trimethylhexanoic acid
SMILESCC/N=C/C(C)C(C)C(C)CC(=O)O
InChIInChI=1S/C11H21NO2/c1-5-12-7-9(3)10(4)8(2)6-11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14)/b12-7+
InChIKeyONJUMNHVBFXLEX-KPKJPENVSA-N
XLogP2.46
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethylimino-3,4,5-trimethylhexanoic acid?
The IUPAC name of 6-ethylimino-3,4,5-trimethylhexanoic acid (CID 175448924) is 6-ethylimino-3,4,5-trimethylhexanoic acid.
What is the SMILES notation for 6-ethylimino-3,4,5-trimethylhexanoic acid?
The canonical SMILES for 6-ethylimino-3,4,5-trimethylhexanoic acid is CC/N=C/C(C)C(C)C(C)CC(=O)O.
What is the InChIKey of 6-ethylimino-3,4,5-trimethylhexanoic acid?
The InChIKey is ONJUMNHVBFXLEX-KPKJPENVSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-12-7-9(3)10(4)8(2)6-11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14)/b12-7+.
What are the key properties of 6-ethylimino-3,4,5-trimethylhexanoic acid?
6-ethylimino-3,4,5-trimethylhexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylimino-3,4,5-trimethylhexanoic acid is sourced from PubChem (CID 175448924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).