N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine

C11H17NS — CID 105000886

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine
SMILESC=CC(NCC)c1ccc(CC)s1
InChIInChI=1S/C11H17NS/c1-4-9-7-8-11(13-9)10(5-2)12-6-3/h5,7-8,10,12H,2,4,6H2,1,3H3
InChIKeyCFFOXKKQUMWBQG-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.15
Rot. Bonds5

About N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine

N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine (PubChem CID 105000886) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine
PubChem CID105000886
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine
SMILESC=CC(NCC)c1ccc(CC)s1
InChIInChI=1S/C11H17NS/c1-4-9-7-8-11(13-9)10(5-2)12-6-3/h5,7-8,10,12H,2,4,6H2,1,3H3
InChIKeyCFFOXKKQUMWBQG-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.15
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

N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 61334719
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
CID 171231341
N-ethyl-1-(5-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 43488382
N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477250
N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488443
N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488451
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
N-[(4,5-dimethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 65237749
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
CID 62600764
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine (CID 105000886) is N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine is C=CC(NCC)c1ccc(CC)s1.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine?
The InChIKey is CFFOXKKQUMWBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-9-7-8-11(13-9)10(5-2)12-6-3/h5,7-8,10,12H,2,4,6H2,1,3H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine?
N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 105000886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).