2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide

C12H24N2S — CID 65144617

IUPAC2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide
SMILESCC(C)C/N=C(\N)CSC1CCCCC1
InChIInChI=1S/C12H24N2S/c1-10(2)8-14-12(13)9-15-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H2,13,14)
InChIKeyRAEZRBBOVJKBEB-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.07
Rot. Bonds5

About 2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide

2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide (PubChem CID 65144617) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide
PubChem CID65144617
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide
SMILESCC(C)C/N=C(\N)CSC1CCCCC1
InChIInChI=1S/C12H24N2S/c1-10(2)8-14-12(13)9-15-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H2,13,14)
InChIKeyRAEZRBBOVJKBEB-UHFFFAOYSA-N
XLogP3.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.07
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

1-cyclopentylsulfanyl-6-methylheptan-2-one
CID 83158089
N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 62362323
methyl 4-cyclopentylsulfanyl-2-methyl-3-oxobutanoate
CID 65140834
2-cyclopentylsulfanylethanimidamide
CID 63114985
1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
CID 62363523
1-cyclohexylsulfanylpropan-2-ylhydrazine
CID 105227877
3-cyclopentylsulfanyl-N'-hydroxypropanimidamide
CID 76982856
1-cyclohexylsulfanylpropane-2-thiol
CID 57273341
1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine
CID 62364218
cyclohexylsulfanylmethanamine
CID 18729999
ethylsulfanylcycloheptane
CID 67666697
potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide
CID 106746987

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide?
The IUPAC name of 2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide (CID 65144617) is 2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide is CC(C)C/N=C(\N)CSC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide?
The InChIKey is RAEZRBBOVJKBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10(2)8-14-12(13)9-15-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide?
2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide has a molecular weight of 228.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide is sourced from PubChem (CID 65144617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).