N,N-dibutyl-5-methylthiophen-2-amine

C13H23NS — CID 23558537

IUPACN,N-dibutyl-5-methylthiophen-2-amine
SMILESCCCCN(CCCC)c1ccc(C)s1
InChIInChI=1S/C13H23NS/c1-4-6-10-14(11-7-5-2)13-9-8-12(3)15-13/h8-9H,4-7,10-11H2,1-3H3
InChIKeyPJERZHPDPFEPEO-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.46
Rot. Bonds7

About N,N-dibutyl-5-methylthiophen-2-amine

N,N-dibutyl-5-methylthiophen-2-amine (PubChem CID 23558537) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N,N-dibutyl-5-methylthiophen-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-5-methylthiophen-2-amine
PubChem CID23558537
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN,N-dibutyl-5-methylthiophen-2-amine
SMILESCCCCN(CCCC)c1ccc(C)s1
InChIInChI=1S/C13H23NS/c1-4-6-10-14(11-7-5-2)13-9-8-12(3)15-13/h8-9H,4-7,10-11H2,1-3H3
InChIKeyPJERZHPDPFEPEO-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-methylthiophen-2-amine?
The IUPAC name of N,N-dibutyl-5-methylthiophen-2-amine (CID 23558537) is N,N-dibutyl-5-methylthiophen-2-amine.
What is the SMILES notation for N,N-dibutyl-5-methylthiophen-2-amine?
The canonical SMILES for N,N-dibutyl-5-methylthiophen-2-amine is CCCCN(CCCC)c1ccc(C)s1.
What is the InChIKey of N,N-dibutyl-5-methylthiophen-2-amine?
The InChIKey is PJERZHPDPFEPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-6-10-14(11-7-5-2)13-9-8-12(3)15-13/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of N,N-dibutyl-5-methylthiophen-2-amine?
N,N-dibutyl-5-methylthiophen-2-amine has a molecular weight of 225.40 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-methylthiophen-2-amine is sourced from PubChem (CID 23558537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).