N-(2-octyldecyl)thiophen-3-amine

C22H41NS — CID 142721017

IUPACN-(2-octyldecyl)thiophen-3-amine
SMILESCCCCCCCCC(CCCCCCCC)CNc1ccsc1
InChIInChI=1S/C22H41NS/c1-3-5-7-9-11-13-15-21(16-14-12-10-8-6-4-2)19-23-22-17-18-24-20-22/h17-18,20-21,23H,3-16,19H2,1-2H3
InChIKeyNNQLVXCIJLADNX-UHFFFAOYSA-N
MW351.64 g/mol
LogP8.28
Rot. Bonds17

About N-(2-octyldecyl)thiophen-3-amine

N-(2-octyldecyl)thiophen-3-amine (PubChem CID 142721017) has the molecular formula C22H41NS and a molecular weight of 351.64 g/mol. Its IUPAC name is N-(2-octyldecyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(2-octyldecyl)thiophen-3-amine
PubChem CID142721017
Molecular FormulaC22H41NS
Molecular Weight351.64 g/mol
Exact Mass351.30
IUPAC NameN-(2-octyldecyl)thiophen-3-amine
SMILESCCCCCCCCC(CCCCCCCC)CNc1ccsc1
InChIInChI=1S/C22H41NS/c1-3-5-7-9-11-13-15-21(16-14-12-10-8-6-4-2)19-23-22-17-18-24-20-22/h17-18,20-21,23H,3-16,19H2,1-2H3
InChIKeyNNQLVXCIJLADNX-UHFFFAOYSA-N
XLogP8.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.64
LogP ≤ 58.28
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 N-(2-octyldecyl)thiophen-3-amine?
The IUPAC name of N-(2-octyldecyl)thiophen-3-amine (CID 142721017) is N-(2-octyldecyl)thiophen-3-amine.
What is the SMILES notation for N-(2-octyldecyl)thiophen-3-amine?
The canonical SMILES for N-(2-octyldecyl)thiophen-3-amine is CCCCCCCCC(CCCCCCCC)CNc1ccsc1.
What is the InChIKey of N-(2-octyldecyl)thiophen-3-amine?
The InChIKey is NNQLVXCIJLADNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NS/c1-3-5-7-9-11-13-15-21(16-14-12-10-8-6-4-2)19-23-22-17-18-24-20-22/h17-18,20-21,23H,3-16,19H2,1-2H3.
What are the key properties of N-(2-octyldecyl)thiophen-3-amine?
N-(2-octyldecyl)thiophen-3-amine has a molecular weight of 351.64 g/mol, XLogP of 8.28, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-octyldecyl)thiophen-3-amine is sourced from PubChem (CID 142721017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).