4-(dimethylamino)-2,2,4-trimethylhexanoic acid

C11H23NO2 — CID 123590414

IUPAC4-(dimethylamino)-2,2,4-trimethylhexanoic acid
SMILESCCC(C)(CC(C)(C)C(=O)O)N(C)C
InChIInChI=1S/C11H23NO2/c1-7-11(4,12(5)6)8-10(2,3)9(13)14/h7-8H2,1-6H3,(H,13,14)
InChIKeyRYJLAGMDKRQYJA-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds5

About 4-(dimethylamino)-2,2,4-trimethylhexanoic acid

4-(dimethylamino)-2,2,4-trimethylhexanoic acid (PubChem CID 123590414) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(dimethylamino)-2,2,4-trimethylhexanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2,2,4-trimethylhexanoic acid
PubChem CID123590414
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(dimethylamino)-2,2,4-trimethylhexanoic acid
SMILESCCC(C)(CC(C)(C)C(=O)O)N(C)C
InChIInChI=1S/C11H23NO2/c1-7-11(4,12(5)6)8-10(2,3)9(13)14/h7-8H2,1-6H3,(H,13,14)
InChIKeyRYJLAGMDKRQYJA-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

4-(Dimethylamino)-4-methylpentanoic acid hydrochloride
CID 167732809
[1,4-Dicarboxy-2-(carboxymethyl)butan-2-yl]-trimethylazanium
CID 22608805
2-[2-(Dimethylamino)ethyl]hexanoic acid
CID 53726742
4-(Dimethylamino)-2,2,3-trimethylpentanoic acid
CID 54072392
4-(Dimethylamino)-2,2-dimethylpentanoic acid
CID 57165325
1-[2-(Diethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 57987625
4-Methyl-4-(methylamino)hexanoic acid
CID 70978013
2-(1,3-Dimethyl-3-piperidyl)acetic acid
CID 83816280
4-(Dimethylamino)-2,3,3,4-tetramethylpentanoic acid
CID 87103286
4-Amino-2,2,4-trimethylhexanoic acid
CID 89085708
4-(Dimethylamino)-2,2,4-trimethylpentanoic acid
CID 91611216
4-(Dimethylamino)-2-methylhexanoic acid
CID 116908233

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,2,4-trimethylhexanoic acid?
The IUPAC name of 4-(dimethylamino)-2,2,4-trimethylhexanoic acid (CID 123590414) is 4-(dimethylamino)-2,2,4-trimethylhexanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2,2,4-trimethylhexanoic acid?
The canonical SMILES for 4-(dimethylamino)-2,2,4-trimethylhexanoic acid is CCC(C)(CC(C)(C)C(=O)O)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2,2,4-trimethylhexanoic acid?
The InChIKey is RYJLAGMDKRQYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7-11(4,12(5)6)8-10(2,3)9(13)14/h7-8H2,1-6H3,(H,13,14).
What are the key properties of 4-(dimethylamino)-2,2,4-trimethylhexanoic acid?
4-(dimethylamino)-2,2,4-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 4-(dimethylamino)-2,2,4-trimethylhexanoic acid is sourced from PubChem (CID 123590414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).