N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine

C11H21NS — CID 129233175

IUPACN-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine
SMILESC/C=N/C(=C\SC)C(CC)CCC
InChIInChI=1S/C11H21NS/c1-5-8-10(6-2)11(9-13-4)12-7-3/h7,9-10H,5-6,8H2,1-4H3/b11-9-,12-7+
InChIKeyIPCNGOFQUSYARI-UNXYAYAESA-N
MW199.36 g/mol
LogP4.11
Rot. Bonds6

About N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine

N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine (PubChem CID 129233175) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine
PubChem CID129233175
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine
SMILESC/C=N/C(=C\SC)C(CC)CCC
InChIInChI=1S/C11H21NS/c1-5-8-10(6-2)11(9-13-4)12-7-3/h7,9-10H,5-6,8H2,1-4H3/b11-9-,12-7+
InChIKeyIPCNGOFQUSYARI-UNXYAYAESA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 54.11
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-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine?
The IUPAC name of N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine (CID 129233175) is N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine.
What is the SMILES notation for N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine?
The canonical SMILES for N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine is C/C=N/C(=C\SC)C(CC)CCC.
What is the InChIKey of N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine?
The InChIKey is IPCNGOFQUSYARI-UNXYAYAESA-N. The full InChI is InChI=1S/C11H21NS/c1-5-8-10(6-2)11(9-13-4)12-7-3/h7,9-10H,5-6,8H2,1-4H3/b11-9-,12-7+.
What are the key properties of N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine?
N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine has a molecular weight of 199.36 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine is sourced from PubChem (CID 129233175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).