N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine

C10H14N2S — CID 134286382

IUPACN-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine
SMILESC=Nc1sc(C(C)C)cc1/N=C/C
InChIInChI=1S/C10H14N2S/c1-5-12-8-6-9(7(2)3)13-10(8)11-4/h5-7H,4H2,1-3H3/b12-5+
InChIKeyYWSOLPWVBVWMKH-LFYBBSHMSA-N
MW194.30 g/mol
LogP3.93
Rot. Bonds3

About N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine

N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine (PubChem CID 134286382) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine.

Molecular Properties

Compound NameN-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine
PubChem CID134286382
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine
SMILESC=Nc1sc(C(C)C)cc1/N=C/C
InChIInChI=1S/C10H14N2S/c1-5-12-8-6-9(7(2)3)13-10(8)11-4/h5-7H,4H2,1-3H3/b12-5+
InChIKeyYWSOLPWVBVWMKH-LFYBBSHMSA-N
XLogP3.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]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-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine?
The IUPAC name of N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine (CID 134286382) is N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine.
What is the SMILES notation for N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine?
The canonical SMILES for N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine is C=Nc1sc(C(C)C)cc1/N=C/C.
What is the InChIKey of N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine?
The InChIKey is YWSOLPWVBVWMKH-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H14N2S/c1-5-12-8-6-9(7(2)3)13-10(8)11-4/h5-7H,4H2,1-3H3/b12-5+.
What are the key properties of N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine?
N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine has a molecular weight of 194.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylideneamino)-5-propan-2-ylthiophen-3-yl]ethanimine is sourced from PubChem (CID 134286382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).