N,N-dibutylthiophen-3-amine

C12H21NS — CID 138975972

IUPACN,N-dibutylthiophen-3-amine
SMILESCCCCN(CCCC)c1ccsc1
InChIInChI=1S/C12H21NS/c1-3-5-8-13(9-6-4-2)12-7-10-14-11-12/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyWJUWBCLJYRAKJC-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.15
Rot. Bonds7

About N,N-dibutylthiophen-3-amine

N,N-dibutylthiophen-3-amine (PubChem CID 138975972) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N,N-dibutylthiophen-3-amine.

Molecular Properties

Compound NameN,N-dibutylthiophen-3-amine
PubChem CID138975972
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN,N-dibutylthiophen-3-amine
SMILESCCCCN(CCCC)c1ccsc1
InChIInChI=1S/C12H21NS/c1-3-5-8-13(9-6-4-2)12-7-10-14-11-12/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyWJUWBCLJYRAKJC-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutylthiophen-3-amine?
The IUPAC name of N,N-dibutylthiophen-3-amine (CID 138975972) is N,N-dibutylthiophen-3-amine.
What is the SMILES notation for N,N-dibutylthiophen-3-amine?
The canonical SMILES for N,N-dibutylthiophen-3-amine is CCCCN(CCCC)c1ccsc1.
What is the InChIKey of N,N-dibutylthiophen-3-amine?
The InChIKey is WJUWBCLJYRAKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-5-8-13(9-6-4-2)12-7-10-14-11-12/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of N,N-dibutylthiophen-3-amine?
N,N-dibutylthiophen-3-amine has a molecular weight of 211.37 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylthiophen-3-amine is sourced from PubChem (CID 138975972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).