N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide

C8H19N3O2 — CID 61451444

IUPACN'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide
SMILESCOCC(C)N(C)CC/C(N)=N/O
InChIInChI=1S/C8H19N3O2/c1-7(6-13-3)11(2)5-4-8(9)10-12/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyOEANCZWTBZAPIR-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.09
Rot. Bonds6

About N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide

N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide (PubChem CID 61451444) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide
PubChem CID61451444
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide
SMILESCOCC(C)N(C)CC/C(N)=N/O
InChIInChI=1S/C8H19N3O2/c1-7(6-13-3)11(2)5-4-8(9)10-12/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyOEANCZWTBZAPIR-UHFFFAOYSA-N
XLogP0.09
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
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-[1-methoxypropan-2-yl(methyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide (CID 61451444) is N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide is COCC(C)N(C)CC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide?
The InChIKey is OEANCZWTBZAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-7(6-13-3)11(2)5-4-8(9)10-12/h7,12H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide?
N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide has a molecular weight of 189.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[1-methoxypropan-2-yl(methyl)amino]propanimidamide is sourced from PubChem (CID 61451444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).