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

C9H15NS — CID 134892025

IUPAC(E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine
SMILESC/C=N/C(=C\C=C(C)C)SC
InChIInChI=1S/C9H15NS/c1-5-10-9(11-4)7-6-8(2)3/h5-7H,1-4H3/b9-7+,10-5+
InChIKeyMGXWWPYBLQYTDU-JCVPOOLXSA-N
MW169.29 g/mol
LogP3.25
Rot. Bonds3

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

(E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine (PubChem CID 134892025) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Name(E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine
PubChem CID134892025
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine
SMILESC/C=N/C(=C\C=C(C)C)SC
InChIInChI=1S/C9H15NS/c1-5-10-9(11-4)7-6-8(2)3/h5-7H,1-4H3/b9-7+,10-5+
InChIKeyMGXWWPYBLQYTDU-JCVPOOLXSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]methanimine
CID 129046785
(Z)-N-[1-[(3Z)-penta-1,3-dien-2-yl]sulfanylethenyl]ethanimine
CID 141895166
N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine
CID 142099500
N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine
CID 142185311
N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]ethanimine
CID 173758120
N-[(1E)-1-methylsulfanylbuta-1,3-dienyl]ethanimine
CID 173996197
(Z)-2-methyl-N-(1-methylsulfanylethenyl)but-2-en-1-imine
CID 173998213

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine?
The IUPAC name of (E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine (CID 134892025) is (E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine.
What is the SMILES notation for (E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine?
The canonical SMILES for (E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine is C/C=N/C(=C\C=C(C)C)SC.
What is the InChIKey of (E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine?
The InChIKey is MGXWWPYBLQYTDU-JCVPOOLXSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-10-9(11-4)7-6-8(2)3/h5-7H,1-4H3/b9-7+,10-5+.
What are the key properties of (E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine?
(E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine has a molecular weight of 169.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine is sourced from PubChem (CID 134892025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).