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

C10H21NO2 — CID 64527764

IUPAC3-(dimethylamino)-3,5-dimethylhexanoic acid
SMILESCC(C)CC(C)(CC(=O)O)N(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)6-10(3,11(4)5)7-9(12)13/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyOGWGFOWRBIYGOH-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds5

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

3-(dimethylamino)-3,5-dimethylhexanoic acid (PubChem CID 64527764) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(dimethylamino)-3,5-dimethylhexanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3,5-dimethylhexanoic acid
PubChem CID64527764
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(dimethylamino)-3,5-dimethylhexanoic acid
SMILESCC(C)CC(C)(CC(=O)O)N(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)6-10(3,11(4)5)7-9(12)13/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyOGWGFOWRBIYGOH-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3,5-dimethylhexanoic acid?
The IUPAC name of 3-(dimethylamino)-3,5-dimethylhexanoic acid (CID 64527764) is 3-(dimethylamino)-3,5-dimethylhexanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3,5-dimethylhexanoic acid?
The canonical SMILES for 3-(dimethylamino)-3,5-dimethylhexanoic acid is CC(C)CC(C)(CC(=O)O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3,5-dimethylhexanoic acid?
The InChIKey is OGWGFOWRBIYGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)6-10(3,11(4)5)7-9(12)13/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 3-(dimethylamino)-3,5-dimethylhexanoic acid?
3-(dimethylamino)-3,5-dimethylhexanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3,5-dimethylhexanoic acid is sourced from PubChem (CID 64527764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).