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

C20H37NS — CID 142721018

IUPACN-(2-hexyldecyl)thiophen-3-amine
SMILESCCCCCCCCC(CCCCCC)CNc1ccsc1
InChIInChI=1S/C20H37NS/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)17-21-20-15-16-22-18-20/h15-16,18-19,21H,3-14,17H2,1-2H3
InChIKeySXRLECNKZOQFHD-UHFFFAOYSA-N
MW323.59 g/mol
LogP7.50
Rot. Bonds15

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

N-(2-hexyldecyl)thiophen-3-amine (PubChem CID 142721018) has the molecular formula C20H37NS and a molecular weight of 323.59 g/mol. Its IUPAC name is N-(2-hexyldecyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(2-hexyldecyl)thiophen-3-amine
PubChem CID142721018
Molecular FormulaC20H37NS
Molecular Weight323.59 g/mol
Exact Mass323.26
IUPAC NameN-(2-hexyldecyl)thiophen-3-amine
SMILESCCCCCCCCC(CCCCCC)CNc1ccsc1
InChIInChI=1S/C20H37NS/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)17-21-20-15-16-22-18-20/h15-16,18-19,21H,3-14,17H2,1-2H3
InChIKeySXRLECNKZOQFHD-UHFFFAOYSA-N
XLogP7.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.59
LogP ≤ 57.50
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-hexyldecyl)thiophen-3-amine?
The IUPAC name of N-(2-hexyldecyl)thiophen-3-amine (CID 142721018) is N-(2-hexyldecyl)thiophen-3-amine.
What is the SMILES notation for N-(2-hexyldecyl)thiophen-3-amine?
The canonical SMILES for N-(2-hexyldecyl)thiophen-3-amine is CCCCCCCCC(CCCCCC)CNc1ccsc1.
What is the InChIKey of N-(2-hexyldecyl)thiophen-3-amine?
The InChIKey is SXRLECNKZOQFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NS/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)17-21-20-15-16-22-18-20/h15-16,18-19,21H,3-14,17H2,1-2H3.
What are the key properties of N-(2-hexyldecyl)thiophen-3-amine?
N-(2-hexyldecyl)thiophen-3-amine has a molecular weight of 323.59 g/mol, XLogP of 7.50, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hexyldecyl)thiophen-3-amine is sourced from PubChem (CID 142721018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).