2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium

C10H27N3O+2 — CID 20776662

IUPAC2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCN(O)CC[N+](C)(C)C
InChIInChI=1S/C10H27N3O/c1-12(2,3)9-7-11(14)8-10-13(4,5)6/h14H,7-10H2,1-6H3/q+2
InChIKeyQTJSVSFPUPPCOZ-UHFFFAOYSA-N
MW205.35 g/mol
LogP0.09
Rot. Bonds6

About 2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium

2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium (PubChem CID 20776662) has the molecular formula C10H27N3O+2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium
PubChem CID20776662
Molecular FormulaC10H27N3O+2
Molecular Weight205.35 g/mol
Exact Mass205.21
IUPAC Name2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCN(O)CC[N+](C)(C)C
InChIInChI=1S/C10H27N3O/c1-12(2,3)9-7-11(14)8-10-13(4,5)6/h14H,7-10H2,1-6H3/q+2
InChIKeyQTJSVSFPUPPCOZ-UHFFFAOYSA-N
XLogP0.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium?
The IUPAC name of 2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium (CID 20776662) is 2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium is C[N+](C)(C)CCN(O)CC[N+](C)(C)C.
What is the InChIKey of 2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium?
The InChIKey is QTJSVSFPUPPCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N3O/c1-12(2,3)9-7-11(14)8-10-13(4,5)6/h14H,7-10H2,1-6H3/q+2.
What are the key properties of 2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium?
2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium has a molecular weight of 205.35 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[2-(trimethylazaniumyl)ethyl]amino]ethyl-trimethylazanium is sourced from PubChem (CID 20776662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).