2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine

C16H24N2S2 — CID 170868986

IUPAC2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine
SMILESNCCc1ccc(CCCCc2ccc(CCN)s2)s1
InChIInChI=1S/C16H24N2S2/c17-11-9-15-7-5-13(19-15)3-1-2-4-14-6-8-16(20-14)10-12-18/h5-8H,1-4,9-12,17-18H2
InChIKeyUSKJPYICPWZLKV-UHFFFAOYSA-N
MW308.52 g/mol
LogP3.38
Rot. Bonds9

About 2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine

2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine (PubChem CID 170868986) has the molecular formula C16H24N2S2 and a molecular weight of 308.52 g/mol. Its IUPAC name is 2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine
PubChem CID170868986
Molecular FormulaC16H24N2S2
Molecular Weight308.52 g/mol
Exact Mass308.14
IUPAC Name2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine
SMILESNCCc1ccc(CCCCc2ccc(CCN)s2)s1
InChIInChI=1S/C16H24N2S2/c17-11-9-15-7-5-13(19-15)3-1-2-4-14-6-8-16(20-14)10-12-18/h5-8H,1-4,9-12,17-18H2
InChIKeyUSKJPYICPWZLKV-UHFFFAOYSA-N
XLogP3.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine?
The IUPAC name of 2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine (CID 170868986) is 2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine?
The canonical SMILES for 2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine is NCCc1ccc(CCCCc2ccc(CCN)s2)s1.
What is the InChIKey of 2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine?
The InChIKey is USKJPYICPWZLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S2/c17-11-9-15-7-5-13(19-15)3-1-2-4-14-6-8-16(20-14)10-12-18/h5-8H,1-4,9-12,17-18H2.
What are the key properties of 2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine?
2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine has a molecular weight of 308.52 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine is sourced from PubChem (CID 170868986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).