5-(5-octylthiophen-2-yl)thiophen-2-amine

C16H23NS2 — CID 145051414

IUPAC5-(5-octylthiophen-2-yl)thiophen-2-amine
SMILESCCCCCCCCc1ccc(-c2ccc(N)s2)s1
InChIInChI=1S/C16H23NS2/c1-2-3-4-5-6-7-8-13-9-10-14(18-13)15-11-12-16(17)19-15/h9-12H,2-8,17H2,1H3
InChIKeySZFDHNBYBPYTNF-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.96
Rot. Bonds8

About 5-(5-octylthiophen-2-yl)thiophen-2-amine

5-(5-octylthiophen-2-yl)thiophen-2-amine (PubChem CID 145051414) has the molecular formula C16H23NS2 and a molecular weight of 293.50 g/mol. Its IUPAC name is 5-(5-octylthiophen-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-(5-octylthiophen-2-yl)thiophen-2-amine
PubChem CID145051414
Molecular FormulaC16H23NS2
Molecular Weight293.50 g/mol
Exact Mass293.13
IUPAC Name5-(5-octylthiophen-2-yl)thiophen-2-amine
SMILESCCCCCCCCc1ccc(-c2ccc(N)s2)s1
InChIInChI=1S/C16H23NS2/c1-2-3-4-5-6-7-8-13-9-10-14(18-13)15-11-12-16(17)19-15/h9-12H,2-8,17H2,1H3
InChIKeySZFDHNBYBPYTNF-UHFFFAOYSA-N
XLogP5.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
2,5-diheptylthiophene
CID 607114
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
2-icosyl-5-[5-(2-octyldodecyl)thiophen-2-yl]thiophene
CID 24746555
2-(5-hexylthiophen-2-yl)-1H-pyrrole
CID 129149292
4,10-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 86020599
2-dodecyl-5-ethylthiophene
CID 528251
3,4-bis(5-dodecylthiophen-2-yl)furan-2,5-dione
CID 122398344
2-hexyl-5-[5-[5-[4-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288478

Frequently Asked Questions

What is the IUPAC name of 5-(5-octylthiophen-2-yl)thiophen-2-amine?
The IUPAC name of 5-(5-octylthiophen-2-yl)thiophen-2-amine (CID 145051414) is 5-(5-octylthiophen-2-yl)thiophen-2-amine.
What is the SMILES notation for 5-(5-octylthiophen-2-yl)thiophen-2-amine?
The canonical SMILES for 5-(5-octylthiophen-2-yl)thiophen-2-amine is CCCCCCCCc1ccc(-c2ccc(N)s2)s1.
What is the InChIKey of 5-(5-octylthiophen-2-yl)thiophen-2-amine?
The InChIKey is SZFDHNBYBPYTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS2/c1-2-3-4-5-6-7-8-13-9-10-14(18-13)15-11-12-16(17)19-15/h9-12H,2-8,17H2,1H3.
What are the key properties of 5-(5-octylthiophen-2-yl)thiophen-2-amine?
5-(5-octylthiophen-2-yl)thiophen-2-amine has a molecular weight of 293.50 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-octylthiophen-2-yl)thiophen-2-amine is sourced from PubChem (CID 145051414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).