3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine

C15H20N2S — CID 75427522

IUPAC3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine
SMILESCC(C)CC(NCc1cccs1)c1ccccn1
InChIInChI=1S/C15H20N2S/c1-12(2)10-15(14-7-3-4-8-16-14)17-11-13-6-5-9-18-13/h3-9,12,15,17H,10-11H2,1-2H3
InChIKeyDAKLFZAZOFPLMU-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.02
Rot. Bonds6

About 3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine

3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine (PubChem CID 75427522) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine
PubChem CID75427522
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine
SMILESCC(C)CC(NCc1cccs1)c1ccccn1
InChIInChI=1S/C15H20N2S/c1-12(2)10-15(14-7-3-4-8-16-14)17-11-13-6-5-9-18-13/h3-9,12,15,17H,10-11H2,1-2H3
InChIKeyDAKLFZAZOFPLMU-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine?
The IUPAC name of 3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine (CID 75427522) is 3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine is CC(C)CC(NCc1cccs1)c1ccccn1.
What is the InChIKey of 3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine?
The InChIKey is DAKLFZAZOFPLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(2)10-15(14-7-3-4-8-16-14)17-11-13-6-5-9-18-13/h3-9,12,15,17H,10-11H2,1-2H3.
What are the key properties of 3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine?
3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 75427522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).