1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine

C12H19NS — CID 105005190

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1cc(C)c(C)s1
InChIInChI=1S/C12H19NS/c1-6-13-12(8(2)3)11-7-9(4)10(5)14-11/h7,12-13H,2,6H2,1,3-5H3
InChIKeyFAWBRMDOPCLZIR-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.59
Rot. Bonds4

About 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine

1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 105005190) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID105005190
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1cc(C)c(C)s1
InChIInChI=1S/C12H19NS/c1-6-13-12(8(2)3)11-7-9(4)10(5)14-11/h7,12-13H,2,6H2,1,3-5H3
InChIKeyFAWBRMDOPCLZIR-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine
CID 114979442
N-[(4,5-dibromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 80533963
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 107968621
1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine
CID 115819403
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 103406586
N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115851555
N-[(4,5-dimethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 65237749
N-[(2-chloro-4,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115484092
N-[(4-chloro-2,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65239292
N-[(2,5-dibromo-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81472935
N-[(2,5-dichlorothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65237651
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
CID 105163726

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine (CID 105005190) is 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)C(NCC)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is FAWBRMDOPCLZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-6-13-12(8(2)3)11-7-9(4)10(5)14-11/h7,12-13H,2,6H2,1,3-5H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine?
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105005190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).