(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine

C10H19NS — CID 139378591

IUPAC(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
SMILESCCSC(C)C/C=C/C(C)=N/C
InChIInChI=1S/C10H19NS/c1-5-12-10(3)8-6-7-9(2)11-4/h6-7,10H,5,8H2,1-4H3/b7-6+,11-9+
InChIKeyOGBODEXEISRHOO-RXUIJTJXSA-N
MW185.34 g/mol
LogP3.16
Rot. Bonds5

About (E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine

(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine (PubChem CID 139378591) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine.

Molecular Properties

Compound Name(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
PubChem CID139378591
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
SMILESCCSC(C)C/C=C/C(C)=N/C
InChIInChI=1S/C10H19NS/c1-5-12-10(3)8-6-7-9(2)11-4/h6-7,10H,5,8H2,1-4H3/b7-6+,11-9+
InChIKeyOGBODEXEISRHOO-RXUIJTJXSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.16
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 (E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine?
The IUPAC name of (E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine (CID 139378591) is (E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine.
What is the SMILES notation for (E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine?
The canonical SMILES for (E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine is CCSC(C)C/C=C/C(C)=N/C.
What is the InChIKey of (E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine?
The InChIKey is OGBODEXEISRHOO-RXUIJTJXSA-N. The full InChI is InChI=1S/C10H19NS/c1-5-12-10(3)8-6-7-9(2)11-4/h6-7,10H,5,8H2,1-4H3/b7-6+,11-9+.
What are the key properties of (E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine?
(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine has a molecular weight of 185.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine is sourced from PubChem (CID 139378591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).