N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine

C8H15NS — CID 130346542

IUPACN-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine
SMILESC/C=N/C(=C\SC)C(C)C
InChIInChI=1S/C8H15NS/c1-5-9-8(6-10-4)7(2)3/h5-7H,1-4H3/b8-6-,9-5+
InChIKeySTTHNXKSDMYGPO-POEMVANMSA-N
MW157.28 g/mol
LogP2.94
Rot. Bonds3

About N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine

N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine (PubChem CID 130346542) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine
PubChem CID130346542
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine
SMILESC/C=N/C(=C\SC)C(C)C
InChIInChI=1S/C8H15NS/c1-5-9-8(6-10-4)7(2)3/h5-7H,1-4H3/b8-6-,9-5+
InChIKeySTTHNXKSDMYGPO-POEMVANMSA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.94
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 N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine?
The IUPAC name of N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine (CID 130346542) is N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine.
What is the SMILES notation for N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine?
The canonical SMILES for N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine is C/C=N/C(=C\SC)C(C)C.
What is the InChIKey of N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine?
The InChIKey is STTHNXKSDMYGPO-POEMVANMSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-9-8(6-10-4)7(2)3/h5-7H,1-4H3/b8-6-,9-5+.
What are the key properties of N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine?
N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine has a molecular weight of 157.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]ethanimine is sourced from PubChem (CID 130346542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).