N'-hydroxy-3-(oxan-3-ylamino)butanimidamide

C9H19N3O2 — CID 77028497

IUPACN'-hydroxy-3-(oxan-3-ylamino)butanimidamide
SMILESCC(CC(N)=NO)NC1CCCOC1
InChIInChI=1S/C9H19N3O2/c1-7(5-9(10)12-13)11-8-3-2-4-14-6-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyZKIOQFGJVQWYEU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.28
Rot. Bonds4

About N'-hydroxy-3-(oxan-3-ylamino)butanimidamide

N'-hydroxy-3-(oxan-3-ylamino)butanimidamide (PubChem CID 77028497) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-(oxan-3-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(oxan-3-ylamino)butanimidamide
PubChem CID77028497
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-(oxan-3-ylamino)butanimidamide
SMILESCC(CC(N)=NO)NC1CCCOC1
InChIInChI=1S/C9H19N3O2/c1-7(5-9(10)12-13)11-8-3-2-4-14-6-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyZKIOQFGJVQWYEU-UHFFFAOYSA-N
XLogP0.28
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.28
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

N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide
CID 77031801
N-methyl-3-(oxan-3-ylamino)butanamide
CID 115717949
(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769
3-[(1,1-dioxothian-3-yl)amino]-N'-hydroxybutanimidamide
CID 77028702
N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide
CID 103063282
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxybutanimidamide
CID 81386366
N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide
CID 76934587
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide
CID 77045511
N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine
CID 115725520
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135
N-(3,3-dimethylbutan-2-yl)oxan-3-amine
CID 115717971

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(oxan-3-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(oxan-3-ylamino)butanimidamide (CID 77028497) is N'-hydroxy-3-(oxan-3-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(oxan-3-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(oxan-3-ylamino)butanimidamide is CC(CC(N)=NO)NC1CCCOC1.
What is the InChIKey of N'-hydroxy-3-(oxan-3-ylamino)butanimidamide?
The InChIKey is ZKIOQFGJVQWYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(5-9(10)12-13)11-8-3-2-4-14-6-8/h7-8,11,13H,2-6H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-(oxan-3-ylamino)butanimidamide?
N'-hydroxy-3-(oxan-3-ylamino)butanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(oxan-3-ylamino)butanimidamide is sourced from PubChem (CID 77028497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).