N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide

C10H23N3O2 — CID 79250546

IUPACN'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(CO)C(C)C
InChIInChI=1S/C10H23N3O2/c1-4-8(5-10(11)13-15)12-9(6-14)7(2)3/h7-9,12,14-15H,4-6H2,1-3H3,(H2,11,13)
InChIKeyKNLOICZYAXOCJZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.51
Rot. Bonds7

About N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide

N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide (PubChem CID 79250546) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide
PubChem CID79250546
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC(CO)C(C)C
InChIInChI=1S/C10H23N3O2/c1-4-8(5-10(11)13-15)12-9(6-14)7(2)3/h7-9,12,14-15H,4-6H2,1-3H3,(H2,11,13)
InChIKeyKNLOICZYAXOCJZ-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
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-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77065010
3-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
CID 106189726
3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide
CID 82938574
3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77032461
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453
N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide
CID 77030452
1-(1-amino-1-hydroxyiminopentan-3-yl)-3-propan-2-ylurea
CID 76947908
3-(cyclopropylamino)-N'-hydroxypentanimidamide
CID 77026260
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide (CID 79250546) is N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide is CCC(CC(N)=NO)NC(CO)C(C)C.
What is the InChIKey of N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide?
The InChIKey is KNLOICZYAXOCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-4-8(5-10(11)13-15)12-9(6-14)7(2)3/h7-9,12,14-15H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide?
N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 79250546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).