(E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine

C11H17NS — CID 103093361

IUPAC(E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccsc1
InChIInChI=1S/C11H17NS/c1-4-12-10(3)9(2)7-11-5-6-13-8-11/h5-8,10,12H,4H2,1-3H3/b9-7+
InChIKeyBKAFUMGWRUXJON-VQHVLOKHSA-N
MW195.33 g/mol
LogP3.15
Rot. Bonds4

About (E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine

(E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine (PubChem CID 103093361) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine
PubChem CID103093361
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccsc1
InChIInChI=1S/C11H17NS/c1-4-12-10(3)9(2)7-11-5-6-13-8-11/h5-8,10,12H,4H2,1-3H3/b9-7+
InChIKeyBKAFUMGWRUXJON-VQHVLOKHSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

5-[(E)-3-(ethylamino)-2-methylbut-1-enyl]-2-fluorobenzonitrile
CID 114018091
N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine
CID 79338658
(E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine
CID 103093456
(E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine
CID 103093350
3-[2-(bromomethyl)but-1-enyl]thiophene
CID 79324461
(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093212
4-(2,4-dichloro-1,3-thiazol-5-yl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093386
2-acetamido-3-thiophen-3-ylprop-2-enoic acid
CID 818838
(E)-N-ethyl-3-methyl-4-(5-nitrofuran-2-yl)but-3-en-2-amine
CID 103093496
sodium (E)-2-methyl-3-thiophen-3-ylprop-2-enoate
CID 134871015
(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
CID 103093159
3-[(E)-but-1-enyl]thiophene
CID 15047169

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine?
The IUPAC name of (E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine (CID 103093361) is (E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine?
The canonical SMILES for (E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine is CCNC(C)/C(C)=C/c1ccsc1.
What is the InChIKey of (E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine?
The InChIKey is BKAFUMGWRUXJON-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-12-10(3)9(2)7-11-5-6-13-8-11/h5-8,10,12H,4H2,1-3H3/b9-7+.
What are the key properties of (E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine?
(E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine has a molecular weight of 195.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-methyl-4-thiophen-3-ylbut-3-en-2-amine is sourced from PubChem (CID 103093361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).