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

C11H17NS — CID 61334719

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNC(C)c1ccc(CC)s1
InChIInChI=1S/C11H17NS/c1-4-8-12-9(3)11-7-6-10(5-2)13-11/h4,6-7,9,12H,1,5,8H2,2-3H3
InChIKeySEPISXHFRJJDGC-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.15
Rot. Bonds5

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

N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 61334719) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
PubChem CID61334719
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNC(C)c1ccc(CC)s1
InChIInChI=1S/C11H17NS/c1-4-8-12-9(3)11-7-6-10(5-2)13-11/h4,6-7,9,12H,1,5,8H2,2-3H3
InChIKeySEPISXHFRJJDGC-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

(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine
CID 105000886
1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713093
1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902899
N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine
CID 55198066
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
CID 171231341
1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713770
N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
CID 61333178
N-[1-(5-ethylthiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327120
1-(5-ethylthiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 61334131
3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide
CID 61333187
4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61333939

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine (CID 61334719) is N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine is C=CCNC(C)c1ccc(CC)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is SEPISXHFRJJDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-8-12-9(3)11-7-6-10(5-2)13-11/h4,6-7,9,12H,1,5,8H2,2-3H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]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-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 61334719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).