N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide

C9H17N3O2 — CID 80719367

IUPACN'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide
SMILESCC(NC1CC2CCC1O2)C(N)=NO
InChIInChI=1S/C9H17N3O2/c1-5(9(10)12-13)11-7-4-6-2-3-8(7)14-6/h5-8,11,13H,2-4H2,1H3,(H2,10,12)
InChIKeyOJDKRSGHHMQXBJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.03
Rot. Bonds3

About N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide

N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide (PubChem CID 80719367) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide
PubChem CID80719367
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide
SMILESCC(NC1CC2CCC1O2)C(N)=NO
InChIInChI=1S/C9H17N3O2/c1-5(9(10)12-13)11-7-4-6-2-3-8(7)14-6/h5-8,11,13H,2-4H2,1H3,(H2,10,12)
InChIKeyOJDKRSGHHMQXBJ-UHFFFAOYSA-N
XLogP0.03
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.03
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-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide (CID 80719367) is N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide is CC(NC1CC2CCC1O2)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide?
The InChIKey is OJDKRSGHHMQXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-5(9(10)12-13)11-7-4-6-2-3-8(7)14-6/h5-8,11,13H,2-4H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide?
N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide has a molecular weight of 199.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanimidamide is sourced from PubChem (CID 80719367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).