2-(2-decyl-3H-thiophen-2-yl)ethanamine

C16H31NS — CID 122657118

IUPAC2-(2-decyl-3H-thiophen-2-yl)ethanamine
SMILESCCCCCCCCCCC1(CCN)CC=CS1
InChIInChI=1S/C16H31NS/c1-2-3-4-5-6-7-8-9-11-16(13-14-17)12-10-15-18-16/h10,15H,2-9,11-14,17H2,1H3
InChIKeyXIWVHGNZVUADRR-UHFFFAOYSA-N
MW269.50 g/mol
LogP5.26
Rot. Bonds11

About 2-(2-decyl-3H-thiophen-2-yl)ethanamine

2-(2-decyl-3H-thiophen-2-yl)ethanamine (PubChem CID 122657118) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 2-(2-decyl-3H-thiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-decyl-3H-thiophen-2-yl)ethanamine
PubChem CID122657118
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name2-(2-decyl-3H-thiophen-2-yl)ethanamine
SMILESCCCCCCCCCCC1(CCN)CC=CS1
InChIInChI=1S/C16H31NS/c1-2-3-4-5-6-7-8-9-11-16(13-14-17)12-10-15-18-16/h10,15H,2-9,11-14,17H2,1H3
InChIKeyXIWVHGNZVUADRR-UHFFFAOYSA-N
XLogP5.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.50
LogP ≤ 55.26
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-decyl-3H-thiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-decyl-3H-thiophen-2-yl)ethanamine (CID 122657118) is 2-(2-decyl-3H-thiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-decyl-3H-thiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-decyl-3H-thiophen-2-yl)ethanamine is CCCCCCCCCCC1(CCN)CC=CS1.
What is the InChIKey of 2-(2-decyl-3H-thiophen-2-yl)ethanamine?
The InChIKey is XIWVHGNZVUADRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-2-3-4-5-6-7-8-9-11-16(13-14-17)12-10-15-18-16/h10,15H,2-9,11-14,17H2,1H3.
What are the key properties of 2-(2-decyl-3H-thiophen-2-yl)ethanamine?
2-(2-decyl-3H-thiophen-2-yl)ethanamine has a molecular weight of 269.50 g/mol, XLogP of 5.26, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-decyl-3H-thiophen-2-yl)ethanamine is sourced from PubChem (CID 122657118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).