N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine

C13H17NS2 — CID 115667086

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine
SMILESCc1ccsc1CNCC(C)c1ccsc1
InChIInChI=1S/C13H17NS2/c1-10-3-6-16-13(10)8-14-7-11(2)12-4-5-15-9-12/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyCGLWZODCIRMNQN-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.01
Rot. Bonds5

About N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine

N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine (PubChem CID 115667086) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine
PubChem CID115667086
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine
SMILESCc1ccsc1CNCC(C)c1ccsc1
InChIInChI=1S/C13H17NS2/c1-10-3-6-16-13(10)8-14-7-11(2)12-4-5-15-9-12/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyCGLWZODCIRMNQN-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904562
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
N-[(2-methylpyrazol-3-yl)methyl]-2-thiophen-3-ylpropan-1-amine
CID 115671324
N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine
CID 115907862
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017
2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 79995530
3-amino-4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 115241731
2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400029
3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]butan-1-amine
CID 115604366
1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 112726263
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine (CID 115667086) is N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine is Cc1ccsc1CNCC(C)c1ccsc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine?
The InChIKey is CGLWZODCIRMNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-10-3-6-16-13(10)8-14-7-11(2)12-4-5-15-9-12/h3-6,9,11,14H,7-8H2,1-2H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine?
N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115667086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).