3-(dimethylamino)hexanoic acid

C8H17NO2 — CID 64527574

IUPAC3-(dimethylamino)hexanoic acid
SMILESCCCC(CC(=O)O)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-7(9(2)3)6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyOHTKWSNJWISQTL-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.19
Rot. Bonds5

About 3-(dimethylamino)hexanoic acid

3-(dimethylamino)hexanoic acid (PubChem CID 64527574) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(dimethylamino)hexanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)hexanoic acid
PubChem CID64527574
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(dimethylamino)hexanoic acid
SMILESCCCC(CC(=O)O)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-7(9(2)3)6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyOHTKWSNJWISQTL-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)heptanoic acid
CID 64527773
3-(didecylamino)hexanoic acid
CID 101314409
3-[di(tricosyl)amino]hexanoic acid
CID 101314733
3-[ethyl(methyl)amino]pentanoic acid
CID 63067557
3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid
CID 175072622
methyl 4-(dimethylamino)heptanoate
CID 116910261
(2S)-2-propylbutanedioic acid
CID 12648185
3-hydroxyhexanoic acid;methane
CID 175209406
3-iodohexanoic acid
CID 18000330
3-[methyl(3-methylbutyl)amino]pentanoic acid
CID 63074034
2-(dimethylamino)pentane-1-thiol
CID 116908743
di(hexan-3-yl)carbamic acid
CID 88787380

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)hexanoic acid?
The IUPAC name of 3-(dimethylamino)hexanoic acid (CID 64527574) is 3-(dimethylamino)hexanoic acid.
What is the SMILES notation for 3-(dimethylamino)hexanoic acid?
The canonical SMILES for 3-(dimethylamino)hexanoic acid is CCCC(CC(=O)O)N(C)C.
What is the InChIKey of 3-(dimethylamino)hexanoic acid?
The InChIKey is OHTKWSNJWISQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-7(9(2)3)6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-(dimethylamino)hexanoic acid?
3-(dimethylamino)hexanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)hexanoic acid is sourced from PubChem (CID 64527574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).