N-decylthiophen-3-amine

C14H25NS — CID 11806737

IUPACN-decylthiophen-3-amine
SMILESCCCCCCCCCCNc1ccsc1
InChIInChI=1S/C14H25NS/c1-2-3-4-5-6-7-8-9-11-15-14-10-12-16-13-14/h10,12-13,15H,2-9,11H2,1H3
InChIKeyHQBRICZKVXPFNN-UHFFFAOYSA-N
MW239.43 g/mol
LogP5.30
Rot. Bonds10

About N-decylthiophen-3-amine

N-decylthiophen-3-amine (PubChem CID 11806737) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-decylthiophen-3-amine.

Molecular Properties

Compound NameN-decylthiophen-3-amine
PubChem CID11806737
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-decylthiophen-3-amine
SMILESCCCCCCCCCCNc1ccsc1
InChIInChI=1S/C14H25NS/c1-2-3-4-5-6-7-8-9-11-15-14-10-12-16-13-14/h10,12-13,15H,2-9,11H2,1H3
InChIKeyHQBRICZKVXPFNN-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.43
LogP ≤ 55.30
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-decylthiophen-3-amine?
The IUPAC name of N-decylthiophen-3-amine (CID 11806737) is N-decylthiophen-3-amine.
What is the SMILES notation for N-decylthiophen-3-amine?
The canonical SMILES for N-decylthiophen-3-amine is CCCCCCCCCCNc1ccsc1.
What is the InChIKey of N-decylthiophen-3-amine?
The InChIKey is HQBRICZKVXPFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-2-3-4-5-6-7-8-9-11-15-14-10-12-16-13-14/h10,12-13,15H,2-9,11H2,1H3.
What are the key properties of N-decylthiophen-3-amine?
N-decylthiophen-3-amine has a molecular weight of 239.43 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decylthiophen-3-amine is sourced from PubChem (CID 11806737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).