2-[bis(2-hydroxyethyl)amino]ethanol;propane

C9H23NO3 — CID 160839946

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;propane
SMILESCCC.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H8/c8-4-1-7(2-5-9)3-6-10;1-3-2/h8-10H,1-6H2;3H2,1-2H3
InChIKeySHWYACNKZMMQFG-UHFFFAOYSA-N
MW193.29 g/mol
LogP-0.32
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;propane

2-[bis(2-hydroxyethyl)amino]ethanol;propane (PubChem CID 160839946) has the molecular formula C9H23NO3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;propane.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;propane
PubChem CID160839946
Molecular FormulaC9H23NO3
Molecular Weight193.29 g/mol
Exact Mass193.17
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;propane
SMILESCCC.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H8/c8-4-1-7(2-5-9)3-6-10;1-3-2/h8-10H,1-6H2;3H2,1-2H3
InChIKeySHWYACNKZMMQFG-UHFFFAOYSA-N
XLogP-0.32
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[bis(2-hydroxyethyl)amino]ethanol;ethoxyethane
CID 22156510
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride
CID 159789530

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;propane?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;propane (CID 160839946) is 2-[bis(2-hydroxyethyl)amino]ethanol;propane.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;propane?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;propane is CCC.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;propane?
The InChIKey is SHWYACNKZMMQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C3H8/c8-4-1-7(2-5-9)3-6-10;1-3-2/h8-10H,1-6H2;3H2,1-2H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;propane?
2-[bis(2-hydroxyethyl)amino]ethanol;propane has a molecular weight of 193.29 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;propane is sourced from PubChem (CID 160839946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).