N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide

C8H18N2S — CID 65137141

IUPACN'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide
SMILESCC/N=C(/N)CSCC(C)C
InChIInChI=1S/C8H18N2S/c1-4-10-8(9)6-11-5-7(2)3/h7H,4-6H2,1-3H3,(H2,9,10)
InChIKeyOZWDPFYZSFQIQY-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.75
Rot. Bonds5

About N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide

N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide (PubChem CID 65137141) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide.

Molecular Properties

Compound NameN'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide
PubChem CID65137141
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide
SMILESCC/N=C(/N)CSCC(C)C
InChIInChI=1S/C8H18N2S/c1-4-10-8(9)6-11-5-7(2)3/h7H,4-6H2,1-3H3,(H2,9,10)
InChIKeyOZWDPFYZSFQIQY-UHFFFAOYSA-N
XLogP1.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropylsulfanyl)-N'-propylethanimidamide
CID 65137142
N'-hydroxy-2-(2-methylpropylsulfanyl)ethanimidamide
CID 43113939
2-(2-methylpropylsulfanylmethyl)guanidine
CID 21026485
propyl 2-(2-methylpropylsulfanyl)acetate
CID 20664968
2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide
CID 66153535
2-chloro-N'-ethylethanimidamide;hydrochloride
CID 14317600
1-N',14-N'-diethyltetradecanediimidamide
CID 45484696
4-methyl-1-(2-methylpropylsulfanyl)hexan-2-one
CID 65135210
2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide
CID 168915407
ethyl 2-ethyl-4-(2-methylpropylsulfanyl)-3-oxobutanoate
CID 65137234
N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
CID 66065533
2-(dimethylamino)-N'-ethylethanimidamide
CID 22980368

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide?
The IUPAC name of N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide (CID 65137141) is N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide.
What is the SMILES notation for N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide?
The canonical SMILES for N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide is CC/N=C(/N)CSCC(C)C.
What is the InChIKey of N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide?
The InChIKey is OZWDPFYZSFQIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-4-10-8(9)6-11-5-7(2)3/h7H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide?
N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide has a molecular weight of 174.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-(2-methylpropylsulfanyl)ethanimidamide is sourced from PubChem (CID 65137141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).