N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide

C8H17N3O2 — CID 43611238

IUPACN'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide
SMILESCN(C/C(N)=N/O)C1CCOCC1
InChIInChI=1S/C8H17N3O2/c1-11(6-8(9)10-12)7-2-4-13-5-3-7/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyIEMGBZSKOADRIU-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.16
Rot. Bonds3

About N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide

N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide (PubChem CID 43611238) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide
PubChem CID43611238
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide
SMILESCN(C/C(N)=N/O)C1CCOCC1
InChIInChI=1S/C8H17N3O2/c1-11(6-8(9)10-12)7-2-4-13-5-3-7/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyIEMGBZSKOADRIU-UHFFFAOYSA-N
XLogP-0.16
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.16
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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Related Compounds

N'-hydroxy-4-[methyl(oxan-4-yl)amino]butanimidamide
CID 43611239
N'-hydroxy-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611241
N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide
CID 43611242
N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611243
2-[Methyl(oxan-4-yl)amino]ethanimidamide
CID 43611260
2-(3-ethylmorpholin-4-yl)-N'-hydroxyethanimidamide
CID 43613259
N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]propanimidamide
CID 55201005
N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]butanimidamide
CID 55202154
N'-hydroxy-5-[methyl(oxan-4-yl)amino]pentanimidamide
CID 61524287
N'-hydroxy-2-[methyl(oxan-4-yl)amino]propanimidamide
CID 61691407
2-[Methyl(oxan-4-yl)amino]propanimidamide
CID 61692216
2-[Methyl(oxan-4-yl)amino]butanimidamide
CID 61697549

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide (CID 43611238) is N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide is CN(C/C(N)=N/O)C1CCOCC1.
What is the InChIKey of N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide?
The InChIKey is IEMGBZSKOADRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-11(6-8(9)10-12)7-2-4-13-5-3-7/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide is sourced from PubChem (CID 43611238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).