N-(3-methylthiophen-2-yl)propan-1-imine

C8H11NS — CID 173487422

IUPACN-(3-methylthiophen-2-yl)propan-1-imine
SMILESCCC=Nc1sccc1C
InChIInChI=1S/C8H11NS/c1-3-5-9-8-7(2)4-6-10-8/h4-6H,3H2,1-2H3
InChIKeyYIPHPJZDXUAGFG-UHFFFAOYSA-N
MW153.25 g/mol
LogP3.17
Rot. Bonds2

About N-(3-methylthiophen-2-yl)propan-1-imine

N-(3-methylthiophen-2-yl)propan-1-imine (PubChem CID 173487422) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is N-(3-methylthiophen-2-yl)propan-1-imine.

Molecular Properties

Compound NameN-(3-methylthiophen-2-yl)propan-1-imine
PubChem CID173487422
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC NameN-(3-methylthiophen-2-yl)propan-1-imine
SMILESCCC=Nc1sccc1C
InChIInChI=1S/C8H11NS/c1-3-5-9-8-7(2)4-6-10-8/h4-6H,3H2,1-2H3
InChIKeyYIPHPJZDXUAGFG-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dihydroxy-2-[(3-methylthiophen-2-yl)iminomethyl]prop-2-enoic acid;tungsten
CID 147325545
2,3-dimethylthiophene;ethane
CID 54075062
4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene
CID 67906774
2-ethyl-1-(3-methylthiophen-2-yl)cyclopropan-1-amine
CID 131010716
2-(bromomethyl)-3-methylthiophene
CID 18463526
3-methylthiophen-2-amine
CID 14536436
(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
CID 130055008
CID 172777676
CID 172777676
1-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 83957669
2-(3-methylthiophen-2-yl)butane-1-thiol
CID 123457832
1,1-dimethyl-2-[(3-methylthiophen-2-yl)methyl]hydrazine
CID 83003822
N-(2-ethylthiophen-3-yl)ethanimine
CID 138720721

Frequently Asked Questions

What is the IUPAC name of N-(3-methylthiophen-2-yl)propan-1-imine?
The IUPAC name of N-(3-methylthiophen-2-yl)propan-1-imine (CID 173487422) is N-(3-methylthiophen-2-yl)propan-1-imine.
What is the SMILES notation for N-(3-methylthiophen-2-yl)propan-1-imine?
The canonical SMILES for N-(3-methylthiophen-2-yl)propan-1-imine is CCC=Nc1sccc1C.
What is the InChIKey of N-(3-methylthiophen-2-yl)propan-1-imine?
The InChIKey is YIPHPJZDXUAGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-5-9-8-7(2)4-6-10-8/h4-6H,3H2,1-2H3.
What are the key properties of N-(3-methylthiophen-2-yl)propan-1-imine?
N-(3-methylthiophen-2-yl)propan-1-imine has a molecular weight of 153.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylthiophen-2-yl)propan-1-imine is sourced from PubChem (CID 173487422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).