N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide

C12H27N3O2 — CID 106148640

IUPACN'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCO)CNCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O2/c1-11(2,6-8-16)9-14-7-5-12(3,4)10(13)15-17/h14,16-17H,5-9H2,1-4H3,(H2,13,15)
InChIKeyLIRZMGWRSSQRFL-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.15
Rot. Bonds8

About N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide (PubChem CID 106148640) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide
PubChem CID106148640
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCO)CNCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O2/c1-11(2,6-8-16)9-14-7-5-12(3,4)10(13)15-17/h14,16-17H,5-9H2,1-4H3,(H2,13,15)
InChIKeyLIRZMGWRSSQRFL-UHFFFAOYSA-N
XLogP1.15
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.15
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

N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106148665
N'-hydroxy-3-[(4-hydroxy-2,2-dimethylbutyl)amino]propanimidamide
CID 106148623
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106256717
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 106146641
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide
CID 83144600
N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106293197
3,3-dimethyl-4-(2-methylsulfanylethylamino)butan-1-ol
CID 106146552
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide (CID 106148640) is N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide is CC(C)(CCO)CNCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is LIRZMGWRSSQRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-11(2,6-8-16)9-14-7-5-12(3,4)10(13)15-17/h14,16-17H,5-9H2,1-4H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.15, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 106148640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).