N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine

C11H21NS — CID 130281263

IUPACN-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine
SMILESC/C=N/C(=C/CC)C(CCC)SC
InChIInChI=1S/C11H21NS/c1-5-8-10(12-7-3)11(13-4)9-6-2/h7-8,11H,5-6,9H2,1-4H3/b10-8+,12-7+
InChIKeyQVJCDVRNCNRBSU-VIFQAHHHSA-N
MW199.36 g/mol
LogP3.90
Rot. Bonds6

About N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine

N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine (PubChem CID 130281263) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine.

Molecular Properties

Compound NameN-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine
PubChem CID130281263
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine
SMILESC/C=N/C(=C/CC)C(CCC)SC
InChIInChI=1S/C11H21NS/c1-5-8-10(12-7-3)11(13-4)9-6-2/h7-8,11H,5-6,9H2,1-4H3/b10-8+,12-7+
InChIKeyQVJCDVRNCNRBSU-VIFQAHHHSA-N
XLogP3.90
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 ≤ 53.90
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-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine?
The IUPAC name of N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine (CID 130281263) is N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine.
What is the SMILES notation for N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine?
The canonical SMILES for N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine is C/C=N/C(=C/CC)C(CCC)SC.
What is the InChIKey of N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine?
The InChIKey is QVJCDVRNCNRBSU-VIFQAHHHSA-N. The full InChI is InChI=1S/C11H21NS/c1-5-8-10(12-7-3)11(13-4)9-6-2/h7-8,11H,5-6,9H2,1-4H3/b10-8+,12-7+.
What are the key properties of N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine?
N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine has a molecular weight of 199.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-methylsulfanyloct-3-en-4-yl]ethanimine is sourced from PubChem (CID 130281263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).