N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide

C10H23N3O2 — CID 106177170

IUPACN'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide
SMILESCCC(NC(C)(CC)CCO)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-4-8(9(11)13-15)12-10(3,5-2)6-7-14/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13)
InChIKeyZYJYTKGEXMRFFD-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.65
Rot. Bonds7

About N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide

N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide (PubChem CID 106177170) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide
PubChem CID106177170
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide
SMILESCCC(NC(C)(CC)CCO)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-4-8(9(11)13-15)12-10(3,5-2)6-7-14/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13)
InChIKeyZYJYTKGEXMRFFD-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.65
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

3-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 115921099
N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide
CID 76953566
2-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxybutanimidamide
CID 77065013
N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide
CID 107317925
N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide
CID 83143473
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
CID 83015704
2-(hexan-3-ylamino)-N'-hydroxybutanimidamide
CID 77028225
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
N'-hydroxy-2-(2-methylpropylamino)butanimidamide
CID 77025273
N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide
CID 104866829
2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide
CID 77048456
N'-hydroxy-2-[3-(hydroxymethyl)pentan-3-ylamino]propanimidamide
CID 77028871

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide (CID 106177170) is N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide is CCC(NC(C)(CC)CCO)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide?
The InChIKey is ZYJYTKGEXMRFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-4-8(9(11)13-15)12-10(3,5-2)6-7-14/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide?
N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-hydroxy-3-methylpentan-3-yl)amino]butanimidamide is sourced from PubChem (CID 106177170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).