N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine

C10H13NS — CID 58586611

IUPACN-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine
SMILESC=Nc1sc(C(=C)C)c(C)c1C
InChIInChI=1S/C10H13NS/c1-6(2)9-7(3)8(4)10(11-5)12-9/h1,5H2,2-4H3
InChIKeyYFWDIZSGKXFURH-UHFFFAOYSA-N
MW179.29 g/mol
LogP3.73
Rot. Bonds2

About N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine

N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine (PubChem CID 58586611) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine.

Molecular Properties

Compound NameN-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine
PubChem CID58586611
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine
SMILESC=Nc1sc(C(=C)C)c(C)c1C
InChIInChI=1S/C10H13NS/c1-6(2)9-7(3)8(4)10(11-5)12-9/h1,5H2,2-4H3
InChIKeyYFWDIZSGKXFURH-UHFFFAOYSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine?
The IUPAC name of N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine (CID 58586611) is N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine.
What is the SMILES notation for N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine?
The canonical SMILES for N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine is C=Nc1sc(C(=C)C)c(C)c1C.
What is the InChIKey of N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine?
The InChIKey is YFWDIZSGKXFURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-6(2)9-7(3)8(4)10(11-5)12-9/h1,5H2,2-4H3.
What are the key properties of N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine?
N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine has a molecular weight of 179.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-5-prop-1-en-2-ylthiophen-2-yl)methanimine is sourced from PubChem (CID 58586611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).