2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium

C7H18N3O2+ — CID 173231763

IUPAC2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCON=C(N)CO
InChIInChI=1S/C7H18N3O2/c1-10(2,3)4-5-12-9-7(8)6-11/h11H,4-6H2,1-3H3,(H2,8,9)/q+1
InChIKeyILPNIHFGQVNPTQ-UHFFFAOYSA-N
MW176.24 g/mol
LogP-1.03
Rot. Bonds5

About 2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium

2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium (PubChem CID 173231763) has the molecular formula C7H18N3O2+ and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium
PubChem CID173231763
Molecular FormulaC7H18N3O2+
Molecular Weight176.24 g/mol
Exact Mass176.14
IUPAC Name2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCON=C(N)CO
InChIInChI=1S/C7H18N3O2/c1-10(2,3)4-5-12-9-7(8)6-11/h11H,4-6H2,1-3H3,(H2,8,9)/q+1
InChIKeyILPNIHFGQVNPTQ-UHFFFAOYSA-N
XLogP-1.03
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'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-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium?
The IUPAC name of 2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium (CID 173231763) is 2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium is C[N+](C)(C)CCON=C(N)CO.
What is the InChIKey of 2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium?
The InChIKey is ILPNIHFGQVNPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N3O2/c1-10(2,3)4-5-12-9-7(8)6-11/h11H,4-6H2,1-3H3,(H2,8,9)/q+1.
What are the key properties of 2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium?
2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium has a molecular weight of 176.24 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium is sourced from PubChem (CID 173231763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).