2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide

C9H20N2S — CID 63963816

IUPAC2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide
SMILESCSCC(C)C/N=C(\N)C(C)C
InChIInChI=1S/C9H20N2S/c1-7(2)9(10)11-5-8(3)6-12-4/h7-8H,5-6H2,1-4H3,(H2,10,11)
InChIKeyIOKDAYVARZOUGH-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.00
Rot. Bonds5

About 2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide

2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide (PubChem CID 63963816) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide
PubChem CID63963816
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide
SMILESCSCC(C)C/N=C(\N)C(C)C
InChIInChI=1S/C9H20N2S/c1-7(2)9(10)11-5-8(3)6-12-4/h7-8H,5-6H2,1-4H3,(H2,10,11)
InChIKeyIOKDAYVARZOUGH-UHFFFAOYSA-N
XLogP2.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide?
The IUPAC name of 2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide (CID 63963816) is 2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide is CSCC(C)C/N=C(\N)C(C)C.
What is the InChIKey of 2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide?
The InChIKey is IOKDAYVARZOUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-7(2)9(10)11-5-8(3)6-12-4/h7-8H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide?
2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide has a molecular weight of 188.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-methyl-3-methylsulfanylpropyl)propanimidamide is sourced from PubChem (CID 63963816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).