N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide

C8H19N3O — CID 43570147

IUPACN'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide
SMILESCC(C)C(C)N(C)C/C(N)=N/O
InChIInChI=1S/C8H19N3O/c1-6(2)7(3)11(4)5-8(9)10-12/h6-7,12H,5H2,1-4H3,(H2,9,10)
InChIKeyZCGRLCPNTCXYDQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.71
Rot. Bonds4

About N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide

N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide (PubChem CID 43570147) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide
PubChem CID43570147
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide
SMILESCC(C)C(C)N(C)C/C(N)=N/O
InChIInChI=1S/C8H19N3O/c1-6(2)7(3)11(4)5-8(9)10-12/h6-7,12H,5H2,1-4H3,(H2,9,10)
InChIKeyZCGRLCPNTCXYDQ-UHFFFAOYSA-N
XLogP0.71
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide
CID 43272969
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide
CID 104876505
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxyethanimidamide
CID 76912572
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
CID 76979744
3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 76912505
2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044627
N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide
CID 79162050
N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
CID 43295869
5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide
CID 76912512
N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide
CID 79152042
4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one
CID 164982465

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide (CID 43570147) is N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide is CC(C)C(C)N(C)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide?
The InChIKey is ZCGRLCPNTCXYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(2)7(3)11(4)5-8(9)10-12/h6-7,12H,5H2,1-4H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide is sourced from PubChem (CID 43570147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).