2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid

C13H28N2O2 — CID 103189711

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
SMILESCCCCC(C(=O)O)N(CC)C(C)CN(C)C
InChIInChI=1S/C13H28N2O2/c1-6-8-9-12(13(16)17)15(7-2)11(3)10-14(4)5/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyFHRAOVIYKZICFG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.90
Rot. Bonds9

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid

2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid (PubChem CID 103189711) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
PubChem CID103189711
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
SMILESCCCCC(C(=O)O)N(CC)C(C)CN(C)C
InChIInChI=1S/C13H28N2O2/c1-6-8-9-12(13(16)17)15(7-2)11(3)10-14(4)5/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyFHRAOVIYKZICFG-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
CID 112745824
2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoic acid
CID 103189748
2-(diethylamino)heptanoic acid
CID 43803668
2-(dimethylamino)tetracosanoic acid
CID 19101458
2-[ethyl(formyl)amino]hexanoic acid
CID 63687944
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
2-[1-(dimethylamino)propan-2-yl-ethylamino]propanamide
CID 103190759
2-[2-carboxyethyl(methyl)amino]hexanoic acid
CID 82328730
2-[(dimethylamino)methyl]-6,6-dimethyldecanoic acid
CID 89012096
2-(dimethylamino)icosanoic acid;2-(dimethylamino)propanoic acid
CID 174688872

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid (CID 103189711) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid is CCCCC(C(=O)O)N(CC)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid?
The InChIKey is FHRAOVIYKZICFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-8-9-12(13(16)17)15(7-2)11(3)10-14(4)5/h11-12H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid?
2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid has a molecular weight of 244.38 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid is sourced from PubChem (CID 103189711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).