N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine

C9H17NS — CID 139514862

IUPACN-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine
SMILESC/C=N/C=C\C(C)CCSC
InChIInChI=1S/C9H17NS/c1-4-10-7-5-9(2)6-8-11-3/h4-5,7,9H,6,8H2,1-3H3/b7-5-,10-4+
InChIKeyXMSOODISTDXDFE-ACUVPTBSSA-N
MW171.31 g/mol
LogP2.98
Rot. Bonds5

About N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine

N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine (PubChem CID 139514862) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine
PubChem CID139514862
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine
SMILESC/C=N/C=C\C(C)CCSC
InChIInChI=1S/C9H17NS/c1-4-10-7-5-9(2)6-8-11-3/h4-5,7,9H,6,8H2,1-3H3/b7-5-,10-4+
InChIKeyXMSOODISTDXDFE-ACUVPTBSSA-N
XLogP2.98
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 ≤ 52.98
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-methyl-5-methylsulfanylpent-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine (CID 139514862) is N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine is C/C=N/C=C\C(C)CCSC.
What is the InChIKey of N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine?
The InChIKey is XMSOODISTDXDFE-ACUVPTBSSA-N. The full InChI is InChI=1S/C9H17NS/c1-4-10-7-5-9(2)6-8-11-3/h4-5,7,9H,6,8H2,1-3H3/b7-5-,10-4+.
What are the key properties of N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine?
N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine has a molecular weight of 171.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine is sourced from PubChem (CID 139514862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).