5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

C11H25N3O — CID 77064126

IUPAC5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCCCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-4-5-8-13-9-6-7-11(2,3)10(12)14-15/h13,15H,4-9H2,1-3H3,(H2,12,14)
InChIKeyGIQIQWTUTKXSIA-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.93
Rot. Bonds8

About 5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77064126) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77064126
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCCCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-4-5-8-13-9-6-7-11(2,3)10(12)14-15/h13,15H,4-9H2,1-3H3,(H2,12,14)
InChIKeyGIQIQWTUTKXSIA-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106293197
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-(4-methylcyclohexyl)ethylamino]pentanimidamide
CID 77063815
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide
CID 106339646
N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide
CID 77063628
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

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77064126) is 5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is CCCCNCCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is GIQIQWTUTKXSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-5-8-13-9-6-7-11(2,3)10(12)14-15/h13,15H,4-9H2,1-3H3,(H2,12,14).
What are the key properties of 5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).