3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine

C10H17NS — CID 175628955

IUPAC3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine
SMILESC=C(C=N/C(=C\C)SC)C(C)C
InChIInChI=1S/C10H17NS/c1-6-10(12-5)11-7-9(4)8(2)3/h6-8H,4H2,1-3,5H3/b10-6+,11-7?
InChIKeySQSDMXYKBYYZKY-WYXIJEACSA-N
MW183.32 g/mol
LogP3.49
Rot. Bonds4

About 3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine

3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine (PubChem CID 175628955) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine.

Molecular Properties

Compound Name3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine
PubChem CID175628955
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine
SMILESC=C(C=N/C(=C\C)SC)C(C)C
InChIInChI=1S/C10H17NS/c1-6-10(12-5)11-7-9(4)8(2)3/h6-8H,4H2,1-3,5H3/b10-6+,11-7?
InChIKeySQSDMXYKBYYZKY-WYXIJEACSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine?
The IUPAC name of 3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine (CID 175628955) is 3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine.
What is the SMILES notation for 3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine?
The canonical SMILES for 3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine is C=C(C=N/C(=C\C)SC)C(C)C.
What is the InChIKey of 3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine?
The InChIKey is SQSDMXYKBYYZKY-WYXIJEACSA-N. The full InChI is InChI=1S/C10H17NS/c1-6-10(12-5)11-7-9(4)8(2)3/h6-8H,4H2,1-3,5H3/b10-6+,11-7?.
What are the key properties of 3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine?
3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine has a molecular weight of 183.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine is sourced from PubChem (CID 175628955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).