N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine

C11H17NS — CID 54223690

IUPACN-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine
SMILESC/C=N/CC(C)c1csc(C)c1C
InChIInChI=1S/C11H17NS/c1-5-12-6-8(2)11-7-13-10(4)9(11)3/h5,7-8H,6H2,1-4H3/b12-5+
InChIKeyQEJQNKZIRBDPPS-LFYBBSHMSA-N
MW195.33 g/mol
LogP3.56
Rot. Bonds3

About N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine

N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine (PubChem CID 54223690) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine.

Molecular Properties

Compound NameN-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine
PubChem CID54223690
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine
SMILESC/C=N/CC(C)c1csc(C)c1C
InChIInChI=1S/C11H17NS/c1-5-12-6-8(2)11-7-13-10(4)9(11)3/h5,7-8H,6H2,1-4H3/b12-5+
InChIKeyQEJQNKZIRBDPPS-LFYBBSHMSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine?
The IUPAC name of N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine (CID 54223690) is N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine.
What is the SMILES notation for N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine?
The canonical SMILES for N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine is C/C=N/CC(C)c1csc(C)c1C.
What is the InChIKey of N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine?
The InChIKey is QEJQNKZIRBDPPS-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H17NS/c1-5-12-6-8(2)11-7-13-10(4)9(11)3/h5,7-8H,6H2,1-4H3/b12-5+.
What are the key properties of N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine?
N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine has a molecular weight of 195.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylthiophen-3-yl)propyl]ethanimine is sourced from PubChem (CID 54223690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).