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

C12H21NS — CID 59584057

IUPACN-(2-ethylhexyl)thiophen-3-amine
SMILESCCCCC(CC)CNc1ccsc1
InChIInChI=1S/C12H21NS/c1-3-5-6-11(4-2)9-13-12-7-8-14-10-12/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyALRLPSCMGJWRDB-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.38
Rot. Bonds7

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

N-(2-ethylhexyl)thiophen-3-amine (PubChem CID 59584057) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-(2-ethylhexyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)thiophen-3-amine
PubChem CID59584057
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-(2-ethylhexyl)thiophen-3-amine
SMILESCCCCC(CC)CNc1ccsc1
InChIInChI=1S/C12H21NS/c1-3-5-6-11(4-2)9-13-12-7-8-14-10-12/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyALRLPSCMGJWRDB-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)thiophen-3-amine?
The IUPAC name of N-(2-ethylhexyl)thiophen-3-amine (CID 59584057) is N-(2-ethylhexyl)thiophen-3-amine.
What is the SMILES notation for N-(2-ethylhexyl)thiophen-3-amine?
The canonical SMILES for N-(2-ethylhexyl)thiophen-3-amine is CCCCC(CC)CNc1ccsc1.
What is the InChIKey of N-(2-ethylhexyl)thiophen-3-amine?
The InChIKey is ALRLPSCMGJWRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-5-6-11(4-2)9-13-12-7-8-14-10-12/h7-8,10-11,13H,3-6,9H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)thiophen-3-amine?
N-(2-ethylhexyl)thiophen-3-amine has a molecular weight of 211.37 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)thiophen-3-amine is sourced from PubChem (CID 59584057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).