2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid

C14H31NO5 — CID 91844643

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid
SMILESCC(C)CC(C)(C)C(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C8H16O2.C6H15NO3/c1-6(2)5-8(3,4)7(9)10;8-4-1-7(2-5-9)3-6-10/h6H,5H2,1-4H3,(H,9,10);8-10H,1-6H2
InChIKeyCHJFPUUTRLYMAV-UHFFFAOYSA-N
MW293.40 g/mol
LogP0.41
Rot. Bonds9

About 2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid

2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid (PubChem CID 91844643) has the molecular formula C14H31NO5 and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid
PubChem CID91844643
Molecular FormulaC14H31NO5
Molecular Weight293.40 g/mol
Exact Mass293.22
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid
SMILESCC(C)CC(C)(C)C(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C8H16O2.C6H15NO3/c1-6(2)5-8(3,4)7(9)10;8-4-1-7(2-5-9)3-6-10/h6H,5H2,1-4H3,(H,9,10);8-10H,1-6H2
InChIKeyCHJFPUUTRLYMAV-UHFFFAOYSA-N
XLogP0.41
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
CID 22902542
2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium
CID 87438440
4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302582
3,3,5-trimethylhexan-2-one
CID 2776079
bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)
CID 139173792
2,2,4-trimethylhexanoic acid
CID 15564208
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
CID 65254635
4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302623
2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
2-(2-hydroxyethylsulfanyl)-2,4-dimethylpentanoic acid
CID 114989364
2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol
CID 87290757

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid (CID 91844643) is 2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid is CC(C)CC(C)(C)C(=O)O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid?
The InChIKey is CHJFPUUTRLYMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H15NO3/c1-6(2)5-8(3,4)7(9)10;8-4-1-7(2-5-9)3-6-10/h6H,5H2,1-4H3,(H,9,10);8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid?
2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid has a molecular weight of 293.40 g/mol, XLogP of 0.41, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid is sourced from PubChem (CID 91844643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).