bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium

C11H24NO3+ — CID 139897021

IUPACbis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium
SMILESCC(O)C[N+](C)(CCC1CO1)CC(C)O
InChIInChI=1S/C11H24NO3/c1-9(13)6-12(3,7-10(2)14)5-4-11-8-15-11/h9-11,13-14H,4-8H2,1-3H3/q+1
InChIKeyLCKGWGYHUHAEOB-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.02
Rot. Bonds7

About bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium

bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium (PubChem CID 139897021) has the molecular formula C11H24NO3+ and a molecular weight of 218.32 g/mol. Its IUPAC name is bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium.

Molecular Properties

Compound Namebis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium
PubChem CID139897021
Molecular FormulaC11H24NO3+
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC Namebis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium
SMILESCC(O)C[N+](C)(CCC1CO1)CC(C)O
InChIInChI=1S/C11H24NO3/c1-9(13)6-12(3,7-10(2)14)5-4-11-8-15-11/h9-11,13-14H,4-8H2,1-3H3/q+1
InChIKeyLCKGWGYHUHAEOB-UHFFFAOYSA-N
XLogP-0.02
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium
CID 19839222
propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride
CID 175186062
1,5-bis(oxiran-2-yl)pentan-3-ol
CID 20657102
butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane
CID 19898407
3-methyl-1-[2-(oxiran-2-yl)ethoxy]butan-2-ol
CID 157311653
1,7-bis(oxiran-2-yl)heptan-4-ol;methane
CID 160991643
4-methyl-1-(oxiran-2-yl)pentan-2-ol
CID 102308160
N-[2-(oxiran-2-yl)ethyl]propan-2-amine
CID 142537295
butan-2-ol;2-methyloxirane
CID 161079441
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
bis(2-methyloxirane);(2R)-propane-1,2-diol;hydrate
CID 159169454
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium?
The IUPAC name of bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium (CID 139897021) is bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium.
What is the SMILES notation for bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium?
The canonical SMILES for bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium is CC(O)C[N+](C)(CCC1CO1)CC(C)O.
What is the InChIKey of bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium?
The InChIKey is LCKGWGYHUHAEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO3/c1-9(13)6-12(3,7-10(2)14)5-4-11-8-15-11/h9-11,13-14H,4-8H2,1-3H3/q+1.
What are the key properties of bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium?
bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium has a molecular weight of 218.32 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxypropyl)-methyl-[2-(oxiran-2-yl)ethyl]azanium is sourced from PubChem (CID 139897021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).