ethane;2-[2-hydroxyethyl(methyl)amino]ethanol

C9H25NO2 — CID 169191994

IUPACethane;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCC.CC.CN(CCO)CCO
InChIInChI=1S/C5H13NO2.2C2H6/c1-6(2-4-7)3-5-8;2*1-2/h7-8H,2-5H2,1H3;2*1-2H3
InChIKeyZRRHPTGKHWEAEB-UHFFFAOYSA-N
MW179.30 g/mol
LogP0.96
Rot. Bonds4

About ethane;2-[2-hydroxyethyl(methyl)amino]ethanol

ethane;2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 169191994) has the molecular formula C9H25NO2 and a molecular weight of 179.30 g/mol. Its IUPAC name is ethane;2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Nameethane;2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID169191994
Molecular FormulaC9H25NO2
Molecular Weight179.30 g/mol
Exact Mass179.19
IUPAC Nameethane;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCC.CC.CN(CCO)CCO
InChIInChI=1S/C5H13NO2.2C2H6/c1-6(2-4-7)3-5-8;2*1-2/h7-8H,2-5H2,1H3;2*1-2H3
InChIKeyZRRHPTGKHWEAEB-UHFFFAOYSA-N
XLogP0.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
CID 174603655
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
CID 174686265
CID 59270461
CID 59270461
2-[ethyl(methyl)amino]ethanol;hydrate
CID 174397905
2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
CID 87572084
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane
CID 161429573
2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of ethane;2-[2-hydroxyethyl(methyl)amino]ethanol (CID 169191994) is ethane;2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for ethane;2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for ethane;2-[2-hydroxyethyl(methyl)amino]ethanol is CC.CC.CN(CCO)CCO.
What is the InChIKey of ethane;2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is ZRRHPTGKHWEAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.2C2H6/c1-6(2-4-7)3-5-8;2*1-2/h7-8H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;2-[2-hydroxyethyl(methyl)amino]ethanol?
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 179.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 169191994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).