2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride

C14H39ClN2O7 — CID 174356724

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride
SMILESCO.C[N+](C)(C)C.OCC(O)CO.OCCN(CCO)CCO.[Cl-]
InChIInChI=1S/C6H15NO3.C4H12N.C3H8O3.CH4O.ClH/c8-4-1-7(2-5-9)3-6-10;1-5(2,3)4;4-1-3(6)2-5;1-2;/h8-10H,1-6H2;1-4H3;3-6H,1-2H2;2H,1H3;1H/q;+1;;;/p-1
InChIKeyBAAHTTXZBBDVEB-UHFFFAOYSA-M
MW382.93 g/mol
LogP-6.47
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride

2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride (PubChem CID 174356724) has the molecular formula C14H39ClN2O7 and a molecular weight of 382.93 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride
PubChem CID174356724
Molecular FormulaC14H39ClN2O7
Molecular Weight382.93 g/mol
Exact Mass382.24
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride
SMILESCO.C[N+](C)(C)C.OCC(O)CO.OCCN(CCO)CCO.[Cl-]
InChIInChI=1S/C6H15NO3.C4H12N.C3H8O3.CH4O.ClH/c8-4-1-7(2-5-9)3-6-10;1-5(2,3)4;4-1-3(6)2-5;1-2;/h8-10H,1-6H2;1-4H3;3-6H,1-2H2;2H,1H3;1H/q;+1;;;/p-1
InChIKeyBAAHTTXZBBDVEB-UHFFFAOYSA-M
XLogP-6.47
TPSA144.85 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.93
LogP ≤ 5-6.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethanol;propane-1,2,3-triol
CID 87640788
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
CID 23700456
CID 160843248
CID 160843248
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-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
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
barium(2+);ethanol;propane-1,2,3-triol;dichloride
CID 174856715

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride (CID 174356724) is 2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride is CO.C[N+](C)(C)C.OCC(O)CO.OCCN(CCO)CCO.[Cl-].
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride?
The InChIKey is BAAHTTXZBBDVEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO3.C4H12N.C3H8O3.CH4O.ClH/c8-4-1-7(2-5-9)3-6-10;1-5(2,3)4;4-1-3(6)2-5;1-2;/h8-10H,1-6H2;1-4H3;3-6H,1-2H2;2H,1H3;1H/q;+1;;;/p-1.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride?
2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride has a molecular weight of 382.93 g/mol, XLogP of -6.47, 8 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;methanol;propane-1,2,3-triol;tetramethylazanium;chloride is sourced from PubChem (CID 174356724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).