3-ethyl-2-hexylthiophene;N-methylmethanamine

C14H27NS — CID 142603185

IUPAC3-ethyl-2-hexylthiophene;N-methylmethanamine
SMILESCCCCCCc1sccc1CC.CNC
InChIInChI=1S/C12H20S.C2H7N/c1-3-5-6-7-8-12-11(4-2)9-10-13-12;1-3-2/h9-10H,3-8H2,1-2H3;3H,1-2H3
InChIKeyWBBRRFQWBSXGCQ-UHFFFAOYSA-N
MW241.44 g/mol
LogP4.27
Rot. Bonds6

About 3-ethyl-2-hexylthiophene;N-methylmethanamine

3-ethyl-2-hexylthiophene;N-methylmethanamine (PubChem CID 142603185) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 3-ethyl-2-hexylthiophene;N-methylmethanamine.

Molecular Properties

Compound Name3-ethyl-2-hexylthiophene;N-methylmethanamine
PubChem CID142603185
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name3-ethyl-2-hexylthiophene;N-methylmethanamine
SMILESCCCCCCc1sccc1CC.CNC
InChIInChI=1S/C12H20S.C2H7N/c1-3-5-6-7-8-12-11(4-2)9-10-13-12;1-3-2/h9-10H,3-8H2,1-2H3;3H,1-2H3
InChIKeyWBBRRFQWBSXGCQ-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 54.27
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 3-ethyl-2-hexylthiophene;N-methylmethanamine?
The IUPAC name of 3-ethyl-2-hexylthiophene;N-methylmethanamine (CID 142603185) is 3-ethyl-2-hexylthiophene;N-methylmethanamine.
What is the SMILES notation for 3-ethyl-2-hexylthiophene;N-methylmethanamine?
The canonical SMILES for 3-ethyl-2-hexylthiophene;N-methylmethanamine is CCCCCCc1sccc1CC.CNC.
What is the InChIKey of 3-ethyl-2-hexylthiophene;N-methylmethanamine?
The InChIKey is WBBRRFQWBSXGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S.C2H7N/c1-3-5-6-7-8-12-11(4-2)9-10-13-12;1-3-2/h9-10H,3-8H2,1-2H3;3H,1-2H3.
What are the key properties of 3-ethyl-2-hexylthiophene;N-methylmethanamine?
3-ethyl-2-hexylthiophene;N-methylmethanamine has a molecular weight of 241.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hexylthiophene;N-methylmethanamine is sourced from PubChem (CID 142603185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).