2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol

C11H25NO3 — CID 62270229

IUPAC2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN(CCO)CCO
InChIInChI=1S/C11H25NO3/c1-3-11(4-2,10-15)9-12(5-7-13)6-8-14/h13-15H,3-10H2,1-2H3
InChIKeyZRGHFLNFUJFGMV-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.07
Rot. Bonds9

About 2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol

2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 62270229) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID62270229
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN(CCO)CCO
InChIInChI=1S/C11H25NO3/c1-3-11(4-2,10-15)9-12(5-7-13)6-8-14/h13-15H,3-10H2,1-2H3
InChIKeyZRGHFLNFUJFGMV-UHFFFAOYSA-N
XLogP0.07
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol
CID 54545518
2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056370
2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol
CID 59966457
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056371
2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484736
2-ethyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]butan-1-ol
CID 79379955
2-ethyl-2-[[methyl(propyl)amino]methyl]butan-1-ol
CID 62270573
2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-propylamino]ethanol
CID 55056097
2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol
CID 107494999
2-[bis(2-hydroxyethyl)amino]ethanol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-hydroxyethylamino)ethanol;propane-1,2,3-triol
CID 174803950
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol (CID 62270229) is 2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CN(CCO)CCO.
What is the InChIKey of 2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is ZRGHFLNFUJFGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-3-11(4-2,10-15)9-12(5-7-13)6-8-14/h13-15H,3-10H2,1-2H3.
What are the key properties of 2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.07, 9 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]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 62270229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).