N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine

C10H17NS — CID 137394707

IUPACN-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)SCC(C)C
InChIInChI=1S/C10H17NS/c1-5-10(6-7-11-4)12-8-9(2)3/h5-7,9H,4,8H2,1-3H3/b7-6-,10-5+
InChIKeyKJOSIYOJFNIKKL-JQEGGOPCSA-N
MW183.32 g/mol
LogP3.49
Rot. Bonds5

About N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine

N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine (PubChem CID 137394707) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine
PubChem CID137394707
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)SCC(C)C
InChIInChI=1S/C10H17NS/c1-5-10(6-7-11-4)12-8-9(2)3/h5-7,9H,4,8H2,1-3H3/b7-6-,10-5+
InChIKeyKJOSIYOJFNIKKL-JQEGGOPCSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine (CID 137394707) is N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine is C=N/C=C\C(=C/C)SCC(C)C.
What is the InChIKey of N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine?
The InChIKey is KJOSIYOJFNIKKL-JQEGGOPCSA-N. The full InChI is InChI=1S/C10H17NS/c1-5-10(6-7-11-4)12-8-9(2)3/h5-7,9H,4,8H2,1-3H3/b7-6-,10-5+.
What are the key properties of N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine?
N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine has a molecular weight of 183.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 137394707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).