(Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine

C10H17NS — CID 171811052

IUPAC(Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine
SMILESC=C(C)C(C)/C=C(\N=C/C)SC
InChIInChI=1S/C10H17NS/c1-6-11-10(12-5)7-9(4)8(2)3/h6-7,9H,2H2,1,3-5H3/b10-7+,11-6-
InChIKeyUJJVOHXHGAABHA-SJUGDSPGSA-N
MW183.32 g/mol
LogP3.49
Rot. Bonds4

About (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine

(Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine (PubChem CID 171811052) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine
PubChem CID171811052
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine
SMILESC=C(C)C(C)/C=C(\N=C/C)SC
InChIInChI=1S/C10H17NS/c1-6-11-10(12-5)7-9(4)8(2)3/h6-7,9H,2H2,1,3-5H3/b10-7+,11-6-
InChIKeyUJJVOHXHGAABHA-SJUGDSPGSA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine with MolForge

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Related Compounds

N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine
CID 139514862
ethane;(Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
CID 142896328
3-Methyl-6-methylsulfanyl-3,4-dihydropyridine
CID 144204071
(Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine;ethane
CID 171811051
(Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine
CID 172606836
(Z)-N-[1-(2-ethylbut-3-enylsulfanyl)ethenyl]but-2-en-1-imine
CID 173709652
N-[(E)-3-methyl-1-methylsulfanylbut-1-enyl]prop-2-en-1-imine
CID 173817143
3-ethyl-5-methylsulfanyl-3H-pyrrole
CID 175010547
3-methyl-2-methylidene-N-[(E)-1-methylsulfanylprop-1-enyl]butan-1-imine
CID 175628955
3-Methyl-6-propan-2-ylsulfanyl-3,4-dihydropyridine
CID 144145698

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine?
The IUPAC name of (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine (CID 171811052) is (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine.
What is the SMILES notation for (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine?
The canonical SMILES for (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine is C=C(C)C(C)/C=C(\N=C/C)SC.
What is the InChIKey of (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine?
The InChIKey is UJJVOHXHGAABHA-SJUGDSPGSA-N. The full InChI is InChI=1S/C10H17NS/c1-6-11-10(12-5)7-9(4)8(2)3/h6-7,9H,2H2,1,3-5H3/b10-7+,11-6-.
What are the key properties of (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine?
(Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine 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 (Z)-N-[(1E)-3,4-dimethyl-1-methylsulfanylpenta-1,4-dienyl]ethanimine is sourced from PubChem (CID 171811052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).