10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid

C14H28N2O3 — CID 51038800

IUPAC10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
SMILESCN(C)CCNC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-16(2)12-11-15-13(17)9-7-5-3-4-6-8-10-14(18)19/h3-12H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyRGOJAAXJOLYDHR-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.87
Rot. Bonds12

About 10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid

10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid (PubChem CID 51038800) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid.

Molecular Properties

Compound Name10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
PubChem CID51038800
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
SMILESCN(C)CCNC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-16(2)12-11-15-13(17)9-7-5-3-4-6-8-10-14(18)19/h3-12H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyRGOJAAXJOLYDHR-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.87
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-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
9-(2-hydroxyethylamino)-9-oxononanoic acid
CID 57483082
4-(tridecanoylamino)butanoic acid
CID 164851630
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 167166577

Frequently Asked Questions

What is the IUPAC name of 10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid?
The IUPAC name of 10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid (CID 51038800) is 10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid.
What is the SMILES notation for 10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid?
The canonical SMILES for 10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid is CN(C)CCNC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid?
The InChIKey is RGOJAAXJOLYDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-16(2)12-11-15-13(17)9-7-5-3-4-6-8-10-14(18)19/h3-12H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid?
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.87, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid is sourced from PubChem (CID 51038800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).