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

C10H23N3O2 — CID 106177172

IUPACN'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide
SMILESCCC(C)(CCO)NCC(C)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-4-10(3,5-6-14)12-7-8(2)9(11)13-15/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13)
InChIKeyJYOFJOUUZKYILB-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.51
Rot. Bonds7

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

N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide (PubChem CID 106177172) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide
PubChem CID106177172
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide
SMILESCCC(C)(CCO)NCC(C)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-4-10(3,5-6-14)12-7-8(2)9(11)13-15/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13)
InChIKeyJYOFJOUUZKYILB-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'}

Analyze N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2-ethyl-4-hydroxybutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370000
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103370186
3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypentan-3-ylamino)methyl]propanimidamide
CID 103370198
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103370206
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]propanimidamide
CID 106177160
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]propanimidamide
CID 106350255
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanimidamide
CID 113807988
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-2-[3-(hydroxymethyl)pentan-3-ylamino]ethanimidamide
CID 77028237

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide (CID 106177172) is N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide is CCC(C)(CCO)NCC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide?
The InChIKey is JYOFJOUUZKYILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-4-10(3,5-6-14)12-7-8(2)9(11)13-15/h8,12,14-15H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide?
N'-hydroxy-3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanimidamide 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-methylpentan-3-yl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 106177172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).