2-(diethylamino)heptanoic acid

C11H23NO2 — CID 43803668

IUPAC2-(diethylamino)heptanoic acid
SMILESCCCCCC(C(=O)O)N(CC)CC
InChIInChI=1S/C11H23NO2/c1-4-7-8-9-10(11(13)14)12(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyYOICDLSRNDCARY-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.36
Rot. Bonds8

About 2-(diethylamino)heptanoic acid

2-(diethylamino)heptanoic acid (PubChem CID 43803668) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(diethylamino)heptanoic acid.

Molecular Properties

Compound Name2-(diethylamino)heptanoic acid
PubChem CID43803668
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(diethylamino)heptanoic acid
SMILESCCCCCC(C(=O)O)N(CC)CC
InChIInChI=1S/C11H23NO2/c1-4-7-8-9-10(11(13)14)12(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyYOICDLSRNDCARY-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

2,7-bis(diethylamino)octanedioic acid
CID 175151576
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid
CID 155231128
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2-(dimethylamino)tetracosanoic acid
CID 19101458
CID 158112465
CID 158112465
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid
CID 18391752

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)heptanoic acid?
The IUPAC name of 2-(diethylamino)heptanoic acid (CID 43803668) is 2-(diethylamino)heptanoic acid.
What is the SMILES notation for 2-(diethylamino)heptanoic acid?
The canonical SMILES for 2-(diethylamino)heptanoic acid is CCCCCC(C(=O)O)N(CC)CC.
What is the InChIKey of 2-(diethylamino)heptanoic acid?
The InChIKey is YOICDLSRNDCARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-8-9-10(11(13)14)12(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-(diethylamino)heptanoic acid?
2-(diethylamino)heptanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)heptanoic acid is sourced from PubChem (CID 43803668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).