4-(dimethylamino)-3,3,5-trimethylhexanoic acid

C11H23NO2 — CID 116908193

IUPAC4-(dimethylamino)-3,3,5-trimethylhexanoic acid
SMILESCC(C)C(N(C)C)C(C)(C)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)10(12(5)6)11(3,4)7-9(13)14/h8,10H,7H2,1-6H3,(H,13,14)
InChIKeyJNUOKQBVIFMSOR-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.07
Rot. Bonds5

About 4-(dimethylamino)-3,3,5-trimethylhexanoic acid

4-(dimethylamino)-3,3,5-trimethylhexanoic acid (PubChem CID 116908193) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(dimethylamino)-3,3,5-trimethylhexanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-3,3,5-trimethylhexanoic acid
PubChem CID116908193
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(dimethylamino)-3,3,5-trimethylhexanoic acid
SMILESCC(C)C(N(C)C)C(C)(C)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)10(12(5)6)11(3,4)7-9(13)14/h8,10H,7H2,1-6H3,(H,13,14)
InChIKeyJNUOKQBVIFMSOR-UHFFFAOYSA-N
XLogP2.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3,3,5-trimethylhexanoic acid?
The IUPAC name of 4-(dimethylamino)-3,3,5-trimethylhexanoic acid (CID 116908193) is 4-(dimethylamino)-3,3,5-trimethylhexanoic acid.
What is the SMILES notation for 4-(dimethylamino)-3,3,5-trimethylhexanoic acid?
The canonical SMILES for 4-(dimethylamino)-3,3,5-trimethylhexanoic acid is CC(C)C(N(C)C)C(C)(C)CC(=O)O.
What is the InChIKey of 4-(dimethylamino)-3,3,5-trimethylhexanoic acid?
The InChIKey is JNUOKQBVIFMSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)10(12(5)6)11(3,4)7-9(13)14/h8,10H,7H2,1-6H3,(H,13,14).
What are the key properties of 4-(dimethylamino)-3,3,5-trimethylhexanoic acid?
4-(dimethylamino)-3,3,5-trimethylhexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3,3,5-trimethylhexanoic acid is sourced from PubChem (CID 116908193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).