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

C8H21NO2 — CID 142839761

IUPAC2-[2-hydroxyethyl(methyl)amino]ethanol;propane
SMILESCCC.CN(CCO)CCO
InChIInChI=1S/C5H13NO2.C3H8/c1-6(2-4-7)3-5-8;1-3-2/h7-8H,2-5H2,1H3;3H2,1-2H3
InChIKeyGVCNIADBTGRKOT-UHFFFAOYSA-N
MW163.26 g/mol
LogP0.32
Rot. Bonds4

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

2-[2-hydroxyethyl(methyl)amino]ethanol;propane (PubChem CID 142839761) has the molecular formula C8H21NO2 and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethanol;propane.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]ethanol;propane
PubChem CID142839761
Molecular FormulaC8H21NO2
Molecular Weight163.26 g/mol
Exact Mass163.16
IUPAC Name2-[2-hydroxyethyl(methyl)amino]ethanol;propane
SMILESCCC.CN(CCO)CCO
InChIInChI=1S/C5H13NO2.C3H8/c1-6(2-4-7)3-5-8;1-3-2/h7-8H,2-5H2,1H3;3H2,1-2H3
InChIKeyGVCNIADBTGRKOT-UHFFFAOYSA-N
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[ethyl(methyl)amino]ethanol;hydrate
CID 174397905
hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
CID 174603655
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[2-[hexyl(methyl)amino]ethyl-methylamino]ethanol;dihydrochloride
CID 167715204
2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
CID 174686265
CID 59270461
CID 59270461
1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 175145973

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanol;propane?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanol;propane (CID 142839761) is 2-[2-hydroxyethyl(methyl)amino]ethanol;propane.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]ethanol;propane?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]ethanol;propane is CCC.CN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]ethanol;propane?
The InChIKey is GVCNIADBTGRKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C3H8/c1-6(2-4-7)3-5-8;1-3-2/h7-8H,2-5H2,1H3;3H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]ethanol;propane?
2-[2-hydroxyethyl(methyl)amino]ethanol;propane has a molecular weight of 163.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]ethanol;propane is sourced from PubChem (CID 142839761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).