(E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine

C9H13NOS — CID 142837240

IUPAC(E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine
SMILESCC/C(=N\OC)c1ccc(C)s1
InChIInChI=1S/C9H13NOS/c1-4-8(10-11-3)9-6-5-7(2)12-9/h5-6H,4H2,1-3H3/b10-8+
InChIKeyBOTXJXAUZCFBSV-CSKARUKUSA-N
MW183.28 g/mol
LogP2.82
Rot. Bonds3

About (E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine

(E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine (PubChem CID 142837240) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine
PubChem CID142837240
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine
SMILESCC/C(=N\OC)c1ccc(C)s1
InChIInChI=1S/C9H13NOS/c1-4-8(10-11-3)9-6-5-7(2)12-9/h5-6H,4H2,1-3H3/b10-8+
InChIKeyBOTXJXAUZCFBSV-CSKARUKUSA-N
XLogP2.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine?
The IUPAC name of (E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine (CID 142837240) is (E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine.
What is the SMILES notation for (E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine?
The canonical SMILES for (E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine is CC/C(=N\OC)c1ccc(C)s1.
What is the InChIKey of (E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine?
The InChIKey is BOTXJXAUZCFBSV-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NOS/c1-4-8(10-11-3)9-6-5-7(2)12-9/h5-6H,4H2,1-3H3/b10-8+.
What are the key properties of (E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine?
(E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine has a molecular weight of 183.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(5-methylthiophen-2-yl)propan-1-imine is sourced from PubChem (CID 142837240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).