N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide

C9H20N2S — CID 123147892

IUPACN,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide
SMILESCC/N=C/N(CC)C(CC)SC
InChIInChI=1S/C9H20N2S/c1-5-9(12-4)11(7-3)8-10-6-2/h8-9H,5-7H2,1-4H3/b10-8+
InChIKeyYEGKGDSMZRYKER-CSKARUKUSA-N
MW188.34 g/mol
LogP2.46
Rot. Bonds6

About N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide

N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide (PubChem CID 123147892) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide.

Molecular Properties

Compound NameN,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide
PubChem CID123147892
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide
SMILESCC/N=C/N(CC)C(CC)SC
InChIInChI=1S/C9H20N2S/c1-5-9(12-4)11(7-3)8-10-6-2/h8-9H,5-7H2,1-4H3/b10-8+
InChIKeyYEGKGDSMZRYKER-CSKARUKUSA-N
XLogP2.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 12718866
[Butylsulfanyl(diethylamino)methylidene]-dimethylazanium chloride
CID 22756147
ethyl N'-cyano-N,N-dipropylcarbamimidothioate
CID 53674436
[Amino(butylsulfanyl)methylidene]-dipropylazanium
CID 53713125
[Diethylamino(ethylsulfanyl)methylidene]-dimethylazanium iodide
CID 87470771
[Diethylamino(propylsulfanyl)methylidene]-diethylazanium iodide
CID 87471067
[Butylsulfanyl(diethylamino)methylidene]-diethylazanium iodide
CID 87471265
[Diethylamino(propylsulfanyl)methylidene]-dimethylazanium iodide
CID 87471268
[Diethylamino(ethylsulfanyl)methylidene]-diethylazanium iodide
CID 87472894
[Butylsulfanyl(diethylamino)methylidene]-dimethylazanium iodide
CID 87500299
N,N-diethyl-4,5-dihydro-1,3-thiazol-2-amine;ethane
CID 143435711
1-(3-Methylsulfanylpropyl)-4,5-dihydroimidazole
CID 144512356

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide?
The IUPAC name of N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide (CID 123147892) is N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide.
What is the SMILES notation for N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide?
The canonical SMILES for N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide is CC/N=C/N(CC)C(CC)SC.
What is the InChIKey of N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide?
The InChIKey is YEGKGDSMZRYKER-CSKARUKUSA-N. The full InChI is InChI=1S/C9H20N2S/c1-5-9(12-4)11(7-3)8-10-6-2/h8-9H,5-7H2,1-4H3/b10-8+.
What are the key properties of N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide?
N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide has a molecular weight of 188.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N-(1-methylsulfanylpropyl)methanimidamide is sourced from PubChem (CID 123147892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).