(E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine

C14H15NS — CID 101129535

IUPAC(E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine
SMILESC(=C/c1cccs1)\CNCc1ccccc1
InChIInChI=1S/C14H15NS/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-9,11,15H,10,12H2/b8-4+
InChIKeyIZAJQAZYQBGTAX-XBXARRHUSA-N
MW229.35 g/mol
LogP3.55
Rot. Bonds5

About (E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine

(E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine (PubChem CID 101129535) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is (E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine
PubChem CID101129535
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name(E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine
SMILESC(=C/c1cccs1)\CNCc1ccccc1
InChIInChI=1S/C14H15NS/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-9,11,15H,10,12H2/b8-4+
InChIKeyIZAJQAZYQBGTAX-XBXARRHUSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(Thiophen-2-yl)phenyl]methanamine
CID 2776332
Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
2,3,4,5-Tetrahydrobenzo[f][1,4]thiazepine
CID 12269106
Tifacogin
CID 961320
2-Phenylthiazolidine
CID 20706
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
(5-Phenylthiophen-2-yl)methanamine
CID 11993875
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine (CID 101129535) is (E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine is C(=C/c1cccs1)\CNCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine?
The InChIKey is IZAJQAZYQBGTAX-XBXARRHUSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-9,11,15H,10,12H2/b8-4+.
What are the key properties of (E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine?
(E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine has a molecular weight of 229.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-thiophen-2-ylprop-2-en-1-amine is sourced from PubChem (CID 101129535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).