3-(dimethylamino)-3-propylhexanoic acid

C11H23NO2 — CID 64526989

IUPAC3-(dimethylamino)-3-propylhexanoic acid
SMILESCCCC(CCC)(CC(=O)O)N(C)C
InChIInChI=1S/C11H23NO2/c1-5-7-11(8-6-2,12(3)4)9-10(13)14/h5-9H2,1-4H3,(H,13,14)
InChIKeyZMQLSRKYOZBMSP-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.36
Rot. Bonds7

About 3-(dimethylamino)-3-propylhexanoic acid

3-(dimethylamino)-3-propylhexanoic acid (PubChem CID 64526989) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(dimethylamino)-3-propylhexanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3-propylhexanoic acid
PubChem CID64526989
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(dimethylamino)-3-propylhexanoic acid
SMILESCCCC(CCC)(CC(=O)O)N(C)C
InChIInChI=1S/C11H23NO2/c1-5-7-11(8-6-2,12(3)4)9-10(13)14/h5-9H2,1-4H3,(H,13,14)
InChIKeyZMQLSRKYOZBMSP-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)-3-propylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-propylhexanoic acid?
The IUPAC name of 3-(dimethylamino)-3-propylhexanoic acid (CID 64526989) is 3-(dimethylamino)-3-propylhexanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3-propylhexanoic acid?
The canonical SMILES for 3-(dimethylamino)-3-propylhexanoic acid is CCCC(CCC)(CC(=O)O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-propylhexanoic acid?
The InChIKey is ZMQLSRKYOZBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-11(8-6-2,12(3)4)9-10(13)14/h5-9H2,1-4H3,(H,13,14).
What are the key properties of 3-(dimethylamino)-3-propylhexanoic acid?
3-(dimethylamino)-3-propylhexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-propylhexanoic acid is sourced from PubChem (CID 64526989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).