2-[2-(diethylamino)ethyl]hexanoic acid

C12H25NO2 — CID 21278680

IUPAC2-[2-(diethylamino)ethyl]hexanoic acid
SMILESCCCCC(CCN(CC)CC)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-7-8-11(12(14)15)9-10-13(5-2)6-3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyYALKEOOYBLTTQB-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.61
Rot. Bonds9

About 2-[2-(diethylamino)ethyl]hexanoic acid

2-[2-(diethylamino)ethyl]hexanoic acid (PubChem CID 21278680) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]hexanoic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]hexanoic acid
PubChem CID21278680
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[2-(diethylamino)ethyl]hexanoic acid
SMILESCCCCC(CCN(CC)CC)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-7-8-11(12(14)15)9-10-13(5-2)6-3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyYALKEOOYBLTTQB-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]hexanoic acid?
The IUPAC name of 2-[2-(diethylamino)ethyl]hexanoic acid (CID 21278680) is 2-[2-(diethylamino)ethyl]hexanoic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]hexanoic acid?
The canonical SMILES for 2-[2-(diethylamino)ethyl]hexanoic acid is CCCCC(CCN(CC)CC)C(=O)O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]hexanoic acid?
The InChIKey is YALKEOOYBLTTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-8-11(12(14)15)9-10-13(5-2)6-3/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(diethylamino)ethyl]hexanoic acid?
2-[2-(diethylamino)ethyl]hexanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]hexanoic acid is sourced from PubChem (CID 21278680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).