N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide

C13H29N3O2 — CID 106293197

IUPACN'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
SMILESCCCC(C)(O)CNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O2/c1-5-7-13(4,17)10-15-9-6-8-12(2,3)11(14)16-18/h15,17-18H,5-10H2,1-4H3,(H2,14,16)
InChIKeyRGNFXZPXIWHVLF-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.68
Rot. Bonds9

About N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 106293197) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
PubChem CID106293197
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC NameN'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
SMILESCCCC(C)(O)CNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O2/c1-5-7-13(4,17)10-15-9-6-8-12(2,3)11(14)16-18/h15,17-18H,5-10H2,1-4H3,(H2,14,16)
InChIKeyRGNFXZPXIWHVLF-UHFFFAOYSA-N
XLogP1.68
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.68
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'}

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Related Compounds

5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106148665
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide
CID 77063628
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106256717
N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide
CID 79350192
N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
CID 77063607
N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide
CID 106148640

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide (CID 106293197) is N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide is CCCC(C)(O)CNCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is RGNFXZPXIWHVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-5-7-13(4,17)10-15-9-6-8-12(2,3)11(14)16-18/h15,17-18H,5-10H2,1-4H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 259.39 g/mol, XLogP of 1.68, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 106293197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).