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

C11H23NO2 — CID 123179044

IUPAC5-(dimethylamino)-3,3,5-trimethylhexanoic acid
SMILESCN(C)C(C)(C)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-10(2,7-9(13)14)8-11(3,4)12(5)6/h7-8H2,1-6H3,(H,13,14)
InChIKeySGTVKIISFRLRJG-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds5

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

5-(dimethylamino)-3,3,5-trimethylhexanoic acid (PubChem CID 123179044) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-(dimethylamino)-3,3,5-trimethylhexanoic acid.

Molecular Properties

Compound Name5-(dimethylamino)-3,3,5-trimethylhexanoic acid
PubChem CID123179044
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name5-(dimethylamino)-3,3,5-trimethylhexanoic acid
SMILESCN(C)C(C)(C)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-10(2,7-9(13)14)8-11(3,4)12(5)6/h7-8H2,1-6H3,(H,13,14)
InChIKeySGTVKIISFRLRJG-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

manganese;3,3,5,5-tetramethylhexanoic acid
CID 139596893
4-amino-3,3-dimethylbutanoic acid
CID 910834
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
5-ethyl-3,3,5-trimethyloctanoic acid
CID 129126671
6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid
CID 59497054
6-formamido-3,3,5,5-tetramethylhexanoic acid
CID 172574666
3,3,5-trimethyl-5-phenylhexanoic acid
CID 167163397
3-methyl-3-[methyl(propyl)amino]butanoic acid
CID 117042303
3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 62933867
4-(dimethylamino)-2-ethyl-N,N,2,4-tetramethylpentanamide
CID 90739984
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3,3-dimethylbutanoic acid;yttrium
CID 59798482

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3,3,5-trimethylhexanoic acid?
The IUPAC name of 5-(dimethylamino)-3,3,5-trimethylhexanoic acid (CID 123179044) is 5-(dimethylamino)-3,3,5-trimethylhexanoic acid.
What is the SMILES notation for 5-(dimethylamino)-3,3,5-trimethylhexanoic acid?
The canonical SMILES for 5-(dimethylamino)-3,3,5-trimethylhexanoic acid is CN(C)C(C)(C)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-(dimethylamino)-3,3,5-trimethylhexanoic acid?
The InChIKey is SGTVKIISFRLRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2,7-9(13)14)8-11(3,4)12(5)6/h7-8H2,1-6H3,(H,13,14).
What are the key properties of 5-(dimethylamino)-3,3,5-trimethylhexanoic acid?
5-(dimethylamino)-3,3,5-trimethylhexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3,3,5-trimethylhexanoic acid is sourced from PubChem (CID 123179044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).