N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide

C10H20N2O3 — CID 43368535

IUPACN'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide
SMILESCC(COCC1CCCCO1)/C(N)=N/O
InChIInChI=1S/C10H20N2O3/c1-8(10(11)12-13)6-14-7-9-4-2-3-5-15-9/h8-9,13H,2-7H2,1H3,(H2,11,12)
InChIKeyMSBWAJIGBHMTGA-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.95
Rot. Bonds5

About N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide

N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide (PubChem CID 43368535) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide
PubChem CID43368535
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide
SMILESCC(COCC1CCCCO1)/C(N)=N/O
InChIInChI=1S/C10H20N2O3/c1-8(10(11)12-13)6-14-7-9-4-2-3-5-15-9/h8-9,13H,2-7H2,1H3,(H2,11,12)
InChIKeyMSBWAJIGBHMTGA-UHFFFAOYSA-N
XLogP0.95
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.95
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-2-(oxan-2-ylmethylamino)butanimidamide
CID 77030636
1-cyclopropyl-2-(oxan-2-ylmethoxy)ethanol
CID 63907468
2-[[2-(bromomethyl)-3-methylbutoxy]methyl]oxane
CID 65012227
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311
3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide
CID 43368378
1-chloro-3-(oxan-2-ylmethoxy)propan-2-ol
CID 112560571
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide
CID 77057994
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
2-methyl-N'-(oxan-2-ylmethyl)propanimidamide
CID 63177019
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
CID 77057841
N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide
CID 114987791

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide (CID 43368535) is N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide is CC(COCC1CCCCO1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide?
The InChIKey is MSBWAJIGBHMTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(10(11)12-13)6-14-7-9-4-2-3-5-15-9/h8-9,13H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide?
N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide has a molecular weight of 216.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide is sourced from PubChem (CID 43368535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).