N-benzyl-2-thiophen-2-ylpent-4-en-2-amine

C16H19NS — CID 3123752

IUPACN-benzyl-2-thiophen-2-ylpent-4-en-2-amine
SMILESC=CCC(C)(NCc1ccccc1)c1cccs1
InChIInChI=1S/C16H19NS/c1-3-11-16(2,15-10-7-12-18-15)17-13-14-8-5-4-6-9-14/h3-10,12,17H,1,11,13H2,2H3
InChIKeyVHBCXXFJEUKQMG-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.33
Rot. Bonds6

About N-benzyl-2-thiophen-2-ylpent-4-en-2-amine

N-benzyl-2-thiophen-2-ylpent-4-en-2-amine (PubChem CID 3123752) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-benzyl-2-thiophen-2-ylpent-4-en-2-amine.

Molecular Properties

Compound NameN-benzyl-2-thiophen-2-ylpent-4-en-2-amine
PubChem CID3123752
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-benzyl-2-thiophen-2-ylpent-4-en-2-amine
SMILESC=CCC(C)(NCc1ccccc1)c1cccs1
InChIInChI=1S/C16H19NS/c1-3-11-16(2,15-10-7-12-18-15)17-13-14-8-5-4-6-9-14/h3-10,12,17H,1,11,13H2,2H3
InChIKeyVHBCXXFJEUKQMG-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-thiophen-2-ylpent-4-en-2-amine?
The IUPAC name of N-benzyl-2-thiophen-2-ylpent-4-en-2-amine (CID 3123752) is N-benzyl-2-thiophen-2-ylpent-4-en-2-amine.
What is the SMILES notation for N-benzyl-2-thiophen-2-ylpent-4-en-2-amine?
The canonical SMILES for N-benzyl-2-thiophen-2-ylpent-4-en-2-amine is C=CCC(C)(NCc1ccccc1)c1cccs1.
What is the InChIKey of N-benzyl-2-thiophen-2-ylpent-4-en-2-amine?
The InChIKey is VHBCXXFJEUKQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-3-11-16(2,15-10-7-12-18-15)17-13-14-8-5-4-6-9-14/h3-10,12,17H,1,11,13H2,2H3.
What are the key properties of N-benzyl-2-thiophen-2-ylpent-4-en-2-amine?
N-benzyl-2-thiophen-2-ylpent-4-en-2-amine has a molecular weight of 257.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-thiophen-2-ylpent-4-en-2-amine is sourced from PubChem (CID 3123752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).