(Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine

C9H15NS — CID 142896329

IUPAC(Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
SMILESC=C/C(CC)=C(\N=C/C)SC
InChIInChI=1S/C9H15NS/c1-5-8(6-2)9(11-4)10-7-3/h5,7H,1,6H2,2-4H3/b9-8-,10-7-
InChIKeyGRSHMJHRYJLZNB-NFIXMJHSSA-N
MW169.29 g/mol
LogP3.25
Rot. Bonds4

About (Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine

(Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine (PubChem CID 142896329) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
PubChem CID142896329
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
SMILESC=C/C(CC)=C(\N=C/C)SC
InChIInChI=1S/C9H15NS/c1-5-8(6-2)9(11-4)10-7-3/h5,7H,1,6H2,2-4H3/b9-8-,10-7-
InChIKeyGRSHMJHRYJLZNB-NFIXMJHSSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-ethylidene-2-methyl-1-methylsulfanyl-1,3-butadien-1-amine
CID 85711847
ethane;(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
CID 142821592
ethane;(Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
CID 142896328
(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
CID 142821593

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine?
The IUPAC name of (Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine (CID 142896329) is (Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for (Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for (Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine is C=C/C(CC)=C(\N=C/C)SC.
What is the InChIKey of (Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine?
The InChIKey is GRSHMJHRYJLZNB-NFIXMJHSSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-8(6-2)9(11-4)10-7-3/h5,7H,1,6H2,2-4H3/b9-8-,10-7-.
What are the key properties of (Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine?
(Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine has a molecular weight of 169.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 142896329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).