N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide

C8H19N3O2 — CID 104866829

IUPACN'-hydroxy-2-(2-hydroxybutylamino)butanimidamide
SMILESCCC(O)CNC(CC)C(N)=NO
InChIInChI=1S/C8H19N3O2/c1-3-6(12)5-10-7(4-2)8(9)11-13/h6-7,10,12-13H,3-5H2,1-2H3,(H2,9,11)
InChIKeySTQKGAOFHQMUAO-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.13
Rot. Bonds6

About N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide

N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide (PubChem CID 104866829) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-hydroxybutylamino)butanimidamide
PubChem CID104866829
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-2-(2-hydroxybutylamino)butanimidamide
SMILESCCC(O)CNC(CC)C(N)=NO
InChIInChI=1S/C8H19N3O2/c1-3-6(12)5-10-7(4-2)8(9)11-13/h6-7,10,12-13H,3-5H2,1-2H3,(H2,9,11)
InChIKeySTQKGAOFHQMUAO-UHFFFAOYSA-N
XLogP-0.13
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
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-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide
CID 77030893
N'-hydroxy-2-(2-methylpropylamino)butanimidamide
CID 77025273
2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide
CID 77048456
N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide
CID 83143473
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009
N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide
CID 107317925
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
CID 83015704
2-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxybutanimidamide
CID 77065013
N'-hydroxy-2-(oxan-2-ylmethylamino)butanimidamide
CID 77030636
N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide
CID 77056350
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]butanimidamide
CID 106161753
N'-hydroxy-2-(2-prop-2-ynylsulfanylethylamino)butanimidamide
CID 106429178

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide (CID 104866829) is N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide is CCC(O)CNC(CC)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide?
The InChIKey is STQKGAOFHQMUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-3-6(12)5-10-7(4-2)8(9)11-13/h6-7,10,12-13H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide?
N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide is sourced from PubChem (CID 104866829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).