3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C11H25N3OS — CID 104863480

IUPAC3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCCSCCN(CCC(N)=NO)CC(C)C
InChIInChI=1S/C11H25N3OS/c1-4-16-8-7-14(9-10(2)3)6-5-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyOPPBUFCUNFOMPB-UHFFFAOYSA-N
MW247.41 g/mol
LogP1.83
Rot. Bonds9

About 3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 104863480) has the molecular formula C11H25N3OS and a molecular weight of 247.41 g/mol. Its IUPAC name is 3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID104863480
Molecular FormulaC11H25N3OS
Molecular Weight247.41 g/mol
Exact Mass247.17
IUPAC Name3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCCSCCN(CCC(N)=NO)CC(C)C
InChIInChI=1S/C11H25N3OS/c1-4-16-8-7-14(9-10(2)3)6-5-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyOPPBUFCUNFOMPB-UHFFFAOYSA-N
XLogP1.83
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
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

3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617
N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide
CID 76937907
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
3-[2-ethylsulfanylethyl(2-methylpropyl)amino]propanenitrile
CID 115647789
3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104863498
3-[2-ethylhexyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917559
3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
CID 107912397
N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
CID 76914449
3-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917283
N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 104863480) is 3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CCSCCN(CCC(N)=NO)CC(C)C.
What is the InChIKey of 3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is OPPBUFCUNFOMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3OS/c1-4-16-8-7-14(9-10(2)3)6-5-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of 3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 247.41 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104863480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).