(Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium

C6H14N3O3- — CID 153278847

IUPAC(Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium
SMILESCOCCN(C(C)C)/[N+]([O-])=N/[O-]
InChIInChI=1S/C6H15N3O3/c1-6(2)8(4-5-12-3)9(11)7-10/h6,10H,4-5H2,1-3H3/p-1/b9-7-
InChIKeyQYRIGLBREHCIMR-CLFYSBASSA-M
MW176.20 g/mol
LogP0.72
Rot. Bonds5

About (Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium

(Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium (PubChem CID 153278847) has the molecular formula C6H14N3O3- and a molecular weight of 176.20 g/mol. Its IUPAC name is (Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium.

Molecular Properties

Compound Name(Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium
PubChem CID153278847
Molecular FormulaC6H14N3O3-
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Name(Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium
SMILESCOCCN(C(C)C)/[N+]([O-])=N/[O-]
InChIInChI=1S/C6H15N3O3/c1-6(2)8(4-5-12-3)9(11)7-10/h6,10H,4-5H2,1-3H3/p-1/b9-7-
InChIKeyQYRIGLBREHCIMR-CLFYSBASSA-M
XLogP0.72
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium?
The IUPAC name of (Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium (CID 153278847) is (Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium.
What is the SMILES notation for (Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium?
The canonical SMILES for (Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium is COCCN(C(C)C)/[N+]([O-])=N/[O-].
What is the InChIKey of (Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium?
The InChIKey is QYRIGLBREHCIMR-CLFYSBASSA-M. The full InChI is InChI=1S/C6H15N3O3/c1-6(2)8(4-5-12-3)9(11)7-10/h6,10H,4-5H2,1-3H3/p-1/b9-7-.
What are the key properties of (Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium?
(Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium has a molecular weight of 176.20 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[2-methoxyethyl(propan-2-yl)amino]-oxido-oxidoiminoazanium is sourced from PubChem (CID 153278847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).