N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine

C9H17NS — CID 126746555

IUPACN-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine
SMILESC=N/C=C(\SC)C(CC)CC
InChIInChI=1S/C9H17NS/c1-5-8(6-2)9(11-4)7-10-3/h7-8H,3,5-6H2,1-2,4H3/b9-7-
InChIKeyGVAKGSWYELLJOK-CLFYSBASSA-N
MW171.31 g/mol
LogP3.33
Rot. Bonds5

About N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine

N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine (PubChem CID 126746555) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine
PubChem CID126746555
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine
SMILESC=N/C=C(\SC)C(CC)CC
InChIInChI=1S/C9H17NS/c1-5-8(6-2)9(11-4)7-10-3/h7-8H,3,5-6H2,1-2,4H3/b9-7-
InChIKeyGVAKGSWYELLJOK-CLFYSBASSA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 53.33
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-2-methylsulfanylpent-1-enyl]methanimine?
The IUPAC name of N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine (CID 126746555) is N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine is C=N/C=C(\SC)C(CC)CC.
What is the InChIKey of N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine?
The InChIKey is GVAKGSWYELLJOK-CLFYSBASSA-N. The full InChI is InChI=1S/C9H17NS/c1-5-8(6-2)9(11-4)7-10-3/h7-8H,3,5-6H2,1-2,4H3/b9-7-.
What are the key properties of N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine?
N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine has a molecular weight of 171.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-ethyl-2-methylsulfanylpent-1-enyl]methanimine is sourced from PubChem (CID 126746555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).