N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide

C11H21N3O2 — CID 80720866

IUPACN'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NC1CC2CCC1O2
InChIInChI=1S/C11H21N3O2/c1-2-7(5-11(12)14-15)13-9-6-8-3-4-10(9)16-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyAQRSUQVCCQPJRO-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.81
Rot. Bonds5

About N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide

N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide (PubChem CID 80720866) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide
PubChem CID80720866
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide
SMILESCCC(CC(N)=NO)NC1CC2CCC1O2
InChIInChI=1S/C11H21N3O2/c1-2-7(5-11(12)14-15)13-9-6-8-3-4-10(9)16-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyAQRSUQVCCQPJRO-UHFFFAOYSA-N
XLogP0.81
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.81
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]propanimidamide
CID 103370013
3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide
CID 64331951
N'-hydroxy-3-[(3-methoxycyclohexyl)-(2-methoxyethyl)amino]propanimidamide
CID 77016822
N'-hydroxy-3-(oxolan-2-ylmethylamino)butanimidamide
CID 77026111
N'-hydroxy-3-(oxolan-2-ylmethylamino)pentanimidamide
CID 77026118
N'-hydroxy-5-[1-(oxolan-2-yl)ethylamino]pentanimidamide
CID 77027340
N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]pentanimidamide
CID 77027760
N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]butanimidamide
CID 77027971
N'-hydroxy-4-[1-(oxolan-2-yl)ethylamino]butanimidamide
CID 77027973
N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide
CID 77028180
3-(2-cyclohexyloxyethylamino)-N'-hydroxypentanimidamide
CID 77029920
N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide
CID 77030258

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide (CID 80720866) is N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide is CCC(CC(N)=NO)NC1CC2CCC1O2.
What is the InChIKey of N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide?
The InChIKey is AQRSUQVCCQPJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-7(5-11(12)14-15)13-9-6-8-3-4-10(9)16-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide?
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide has a molecular weight of 227.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide is sourced from PubChem (CID 80720866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).