N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide

C8H19N3OS — CID 104876505

IUPACN'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide
SMILESCSCCC(C)N(C)CC(N)=NO
InChIInChI=1S/C8H19N3OS/c1-7(4-5-13-3)11(2)6-8(9)10-12/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyGHDGTDKRLZLFMS-UHFFFAOYSA-N
MW205.33 g/mol
LogP0.81
Rot. Bonds6

About N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide

N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide (PubChem CID 104876505) has the molecular formula C8H19N3OS and a molecular weight of 205.33 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide
PubChem CID104876505
Molecular FormulaC8H19N3OS
Molecular Weight205.33 g/mol
Exact Mass205.12
IUPAC NameN'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide
SMILESCSCCC(C)N(C)CC(N)=NO
InChIInChI=1S/C8H19N3OS/c1-7(4-5-13-3)11(2)6-8(9)10-12/h7,12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyGHDGTDKRLZLFMS-UHFFFAOYSA-N
XLogP0.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide
CID 43272969
2-hydroxy-1-methyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104876660
N'-hydroxy-2-[methyl(3-methylbutan-2-yl)amino]ethanimidamide
CID 43570147
N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 103071342
2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 115773348
2-bromo-N'-hydroxy-6-[methyl(4-methylsulfanylbutan-2-yl)amino]benzenecarboximidamide
CID 114883355
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
CID 104876636
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 104876644
3-amino-1,2-dimethyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104882488
1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 115752194
N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
CID 77038056

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide (CID 104876505) is N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide is CSCCC(C)N(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide?
The InChIKey is GHDGTDKRLZLFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3OS/c1-7(4-5-13-3)11(2)6-8(9)10-12/h7,12H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide has a molecular weight of 205.33 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide is sourced from PubChem (CID 104876505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).