3-(dimethylamino)-3-methylhexanoic acid

C9H19NO2 — CID 64527172

IUPAC3-(dimethylamino)-3-methylhexanoic acid
SMILESCCCC(C)(CC(=O)O)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-9(2,10(3)4)7-8(11)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyJNGIDCOYGIGMQC-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds5

About 3-(dimethylamino)-3-methylhexanoic acid

3-(dimethylamino)-3-methylhexanoic acid (PubChem CID 64527172) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methylhexanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3-methylhexanoic acid
PubChem CID64527172
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(dimethylamino)-3-methylhexanoic acid
SMILESCCCC(C)(CC(=O)O)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-9(2,10(3)4)7-8(11)12/h5-7H2,1-4H3,(H,11,12)
InChIKeyJNGIDCOYGIGMQC-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methylhexanoic acid?
The IUPAC name of 3-(dimethylamino)-3-methylhexanoic acid (CID 64527172) is 3-(dimethylamino)-3-methylhexanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3-methylhexanoic acid?
The canonical SMILES for 3-(dimethylamino)-3-methylhexanoic acid is CCCC(C)(CC(=O)O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methylhexanoic acid?
The InChIKey is JNGIDCOYGIGMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-6-9(2,10(3)4)7-8(11)12/h5-7H2,1-4H3,(H,11,12).
What are the key properties of 3-(dimethylamino)-3-methylhexanoic acid?
3-(dimethylamino)-3-methylhexanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methylhexanoic acid is sourced from PubChem (CID 64527172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).