N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide

C11H25N3O2 — CID 106177173

IUPACN'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide
SMILESCCC(C)(CCO)NCCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-11(2,7-9-15)13-8-5-4-6-10(12)14-16/h13,15-16H,3-9H2,1-2H3,(H2,12,14)
InChIKeyLYGVJKPLROUIFD-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.04
Rot. Bonds9

About N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide

N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide (PubChem CID 106177173) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide
PubChem CID106177173
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide
SMILESCCC(C)(CCO)NCCCCC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-11(2,7-9-15)13-8-5-4-6-10(12)14-16/h13,15-16H,3-9H2,1-2H3,(H2,12,14)
InChIKeyLYGVJKPLROUIFD-UHFFFAOYSA-N
XLogP1.04
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide with MolForge

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]propanimidamide
CID 106177160
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]propanimidamide
CID 77027815
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]-2-methylpropanimidamide
CID 77027816
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]butanimidamide
CID 77027817
N'-hydroxy-5-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028028
N'-hydroxy-5-[[1-(hydroxymethyl)cyclopentyl]amino]pentanimidamide
CID 77028029
N'-hydroxy-2-[3-(hydroxymethyl)pentan-3-ylamino]ethanimidamide
CID 77028237
N'-hydroxy-3-[3-(hydroxymethyl)pentan-3-ylamino]pentanimidamide
CID 77028447
N'-hydroxy-2-[3-(hydroxymethyl)pentan-3-ylamino]butanimidamide
CID 77028661
N'-hydroxy-4-[3-(hydroxymethyl)pentan-3-ylamino]butanimidamide
CID 77028663
N'-hydroxy-4-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
CID 77028665
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide (CID 106177173) is N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide is CCC(C)(CCO)NCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide?
The InChIKey is LYGVJKPLROUIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-11(2,7-9-15)13-8-5-4-6-10(12)14-16/h13,15-16H,3-9H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide?
N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.04, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(1-hydroxy-3-methylpentan-3-yl)amino]pentanimidamide is sourced from PubChem (CID 106177173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).