10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid

C15H30N2O3 — CID 51038580

IUPAC10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
SMILESCN(C)CCCNC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-17(2)13-9-12-16-14(18)10-7-5-3-4-6-8-11-15(19)20/h3-13H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyGWKPWGKMVDEOGQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.26
Rot. Bonds13

About 10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid

10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid (PubChem CID 51038580) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid.

Molecular Properties

Compound Name10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
PubChem CID51038580
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
SMILESCN(C)CCCNC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-17(2)13-9-12-16-14(18)10-7-5-3-4-6-8-11-15(19)20/h3-13H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyGWKPWGKMVDEOGQ-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185

Frequently Asked Questions

What is the IUPAC name of 10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid?
The IUPAC name of 10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid (CID 51038580) is 10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid.
What is the SMILES notation for 10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid?
The canonical SMILES for 10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid is CN(C)CCCNC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid?
The InChIKey is GWKPWGKMVDEOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-17(2)13-9-12-16-14(18)10-7-5-3-4-6-8-11-15(19)20/h3-13H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid?
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.26, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid is sourced from PubChem (CID 51038580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).