N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide

C12H25N3OS — CID 106429128

IUPACN'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide
SMILESC=CCSCCNCCCC(C)(C)/C(N)=N/O
InChIInChI=1S/C12H25N3OS/c1-4-9-17-10-8-14-7-5-6-12(2,3)11(13)15-16/h4,14,16H,1,5-10H2,2-3H3,(H2,13,15)
InChIKeyLEJHLQLHLWETTL-UHFFFAOYSA-N
MW259.42 g/mol
LogP2.05
Rot. Bonds10

About N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide (PubChem CID 106429128) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide
PubChem CID106429128
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide
SMILESC=CCSCCNCCCC(C)(C)/C(N)=N/O
InChIInChI=1S/C12H25N3OS/c1-4-9-17-10-8-14-7-5-6-12(2,3)11(13)15-16/h4,14,16H,1,5-10H2,2-3H3,(H2,13,15)
InChIKeyLEJHLQLHLWETTL-UHFFFAOYSA-N
XLogP2.05
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 52.05
H-Bond Donors ≤ 53
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
N'-hydroxy-2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pentanimidamide
CID 79350192
N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
CID 106711655
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106293197
N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106148665
2,2-dimethyl-4-(2-prop-2-enylsulfanylethylamino)butanenitrile
CID 106427918

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide (CID 106429128) is N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide is C=CCSCCNCCCC(C)(C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide?
The InChIKey is LEJHLQLHLWETTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-4-9-17-10-8-14-7-5-6-12(2,3)11(13)15-16/h4,14,16H,1,5-10H2,2-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide has a molecular weight of 259.42 g/mol, XLogP of 2.05, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide is sourced from PubChem (CID 106429128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).