N-(thiophen-2-ylmethoxy)propan-2-imine

C8H11NOS — CID 142060545

IUPACN-(thiophen-2-ylmethoxy)propan-2-imine
SMILESCC(C)=NOCc1cccs1
InChIInChI=1S/C8H11NOS/c1-7(2)9-10-6-8-4-3-5-11-8/h3-5H,6H2,1-2H3
InChIKeyCXRHSUYROGATFB-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.66
Rot. Bonds3

About N-(thiophen-2-ylmethoxy)propan-2-imine

N-(thiophen-2-ylmethoxy)propan-2-imine (PubChem CID 142060545) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N-(thiophen-2-ylmethoxy)propan-2-imine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethoxy)propan-2-imine
PubChem CID142060545
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN-(thiophen-2-ylmethoxy)propan-2-imine
SMILESCC(C)=NOCc1cccs1
InChIInChI=1S/C8H11NOS/c1-7(2)9-10-6-8-4-3-5-11-8/h3-5H,6H2,1-2H3
InChIKeyCXRHSUYROGATFB-UHFFFAOYSA-N
XLogP2.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.66
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 N-(thiophen-2-ylmethoxy)propan-2-imine?
The IUPAC name of N-(thiophen-2-ylmethoxy)propan-2-imine (CID 142060545) is N-(thiophen-2-ylmethoxy)propan-2-imine.
What is the SMILES notation for N-(thiophen-2-ylmethoxy)propan-2-imine?
The canonical SMILES for N-(thiophen-2-ylmethoxy)propan-2-imine is CC(C)=NOCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethoxy)propan-2-imine?
The InChIKey is CXRHSUYROGATFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-7(2)9-10-6-8-4-3-5-11-8/h3-5H,6H2,1-2H3.
What are the key properties of N-(thiophen-2-ylmethoxy)propan-2-imine?
N-(thiophen-2-ylmethoxy)propan-2-imine has a molecular weight of 169.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethoxy)propan-2-imine is sourced from PubChem (CID 142060545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).