2-(dimethylamino)ethanol;hexanedioic acid

C10H21NO5 — CID 159637742

IUPAC2-(dimethylamino)ethanol;hexanedioic acid
SMILESCN(C)CCO.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.C4H11NO/c7-5(8)3-1-2-4-6(9)10;1-5(2)3-4-6/h1-4H2,(H,7,8)(H,9,10);6H,3-4H2,1-2H3
InChIKeyMPYNGVJAUIARDO-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.26
Rot. Bonds7

About 2-(dimethylamino)ethanol;hexanedioic acid

2-(dimethylamino)ethanol;hexanedioic acid (PubChem CID 159637742) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;hexanedioic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;hexanedioic acid
PubChem CID159637742
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name2-(dimethylamino)ethanol;hexanedioic acid
SMILESCN(C)CCO.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.C4H11NO/c7-5(8)3-1-2-4-6(9)10;1-5(2)3-4-6/h1-4H2,(H,7,8)(H,9,10);6H,3-4H2,1-2H3
InChIKeyMPYNGVJAUIARDO-UHFFFAOYSA-N
XLogP0.26
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethanol;hexanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethanol;octacosanoic acid
CID 71441848
8-[2-hydroxyethyl(methyl)amino]octanoic acid
CID 170273809
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
bis(2-(diethylamino)ethanol);hexanedioic acid
CID 22571154
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc
CID 175605017
8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810
(2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol
CID 23619747
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
ethane-1,2-diol;heptanedioic acid
CID 130422873

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;hexanedioic acid?
The IUPAC name of 2-(dimethylamino)ethanol;hexanedioic acid (CID 159637742) is 2-(dimethylamino)ethanol;hexanedioic acid.
What is the SMILES notation for 2-(dimethylamino)ethanol;hexanedioic acid?
The canonical SMILES for 2-(dimethylamino)ethanol;hexanedioic acid is CN(C)CCO.O=C(O)CCCCC(=O)O.
What is the InChIKey of 2-(dimethylamino)ethanol;hexanedioic acid?
The InChIKey is MPYNGVJAUIARDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C4H11NO/c7-5(8)3-1-2-4-6(9)10;1-5(2)3-4-6/h1-4H2,(H,7,8)(H,9,10);6H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethanol;hexanedioic acid?
2-(dimethylamino)ethanol;hexanedioic acid has a molecular weight of 235.28 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;hexanedioic acid is sourced from PubChem (CID 159637742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).