N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide

C8H19N3O2 — CID 79379099

IUPACN'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
SMILESCN(CCC(N)=NO)CC(C)(C)O
InChIInChI=1S/C8H19N3O2/c1-8(2,12)6-11(3)5-4-7(9)10-13/h12-13H,4-6H2,1-3H3,(H2,9,10)
InChIKeyQGZRELIXAKKTPX-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.17
Rot. Bonds5

About N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide

N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide (PubChem CID 79379099) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
PubChem CID79379099
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
SMILESCN(CCC(N)=NO)CC(C)(C)O
InChIInChI=1S/C8H19N3O2/c1-8(2,12)6-11(3)5-4-7(9)10-13/h12-13H,4-6H2,1-3H3,(H2,9,10)
InChIKeyQGZRELIXAKKTPX-UHFFFAOYSA-N
XLogP-0.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide (CID 79379099) is N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide is CN(CCC(N)=NO)CC(C)(C)O.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
The InChIKey is QGZRELIXAKKTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-8(2,12)6-11(3)5-4-7(9)10-13/h12-13H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide is sourced from PubChem (CID 79379099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).