7-(diethylamino)heptanoic acid

C11H23NO2 — CID 56991392

IUPAC7-(diethylamino)heptanoic acid
SMILESCCN(CC)CCCCCCC(=O)O
InChIInChI=1S/C11H23NO2/c1-3-12(4-2)10-8-6-5-7-9-11(13)14/h3-10H2,1-2H3,(H,13,14)
InChIKeyABOQSESLIHXYNB-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.36
Rot. Bonds9

About 7-(diethylamino)heptanoic acid

7-(diethylamino)heptanoic acid (PubChem CID 56991392) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 7-(diethylamino)heptanoic acid.

Molecular Properties

Compound Name7-(diethylamino)heptanoic acid
PubChem CID56991392
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name7-(diethylamino)heptanoic acid
SMILESCCN(CC)CCCCCCC(=O)O
InChIInChI=1S/C11H23NO2/c1-3-12(4-2)10-8-6-5-7-9-11(13)14/h3-10H2,1-2H3,(H,13,14)
InChIKeyABOQSESLIHXYNB-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)heptanoic acid?
The IUPAC name of 7-(diethylamino)heptanoic acid (CID 56991392) is 7-(diethylamino)heptanoic acid.
What is the SMILES notation for 7-(diethylamino)heptanoic acid?
The canonical SMILES for 7-(diethylamino)heptanoic acid is CCN(CC)CCCCCCC(=O)O.
What is the InChIKey of 7-(diethylamino)heptanoic acid?
The InChIKey is ABOQSESLIHXYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-12(4-2)10-8-6-5-7-9-11(13)14/h3-10H2,1-2H3,(H,13,14).
What are the key properties of 7-(diethylamino)heptanoic acid?
7-(diethylamino)heptanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)heptanoic acid is sourced from PubChem (CID 56991392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).